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Database: PDB
Entry: 2C2H
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Original site: 2C2H 
HEADER    SIGNALING PROTEIN                       29-SEP-05   2C2H              
TITLE     CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 3;                
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: GTPASE RAC3, P21-RAC3;                                      
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;                            
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PLIC-SGC                                   
KEYWDS    GTPASE RAC3, SMALL GTP BINDING PROTEIN, P21 RAC, RAS- RELATED C3      
KEYWDS   2 BUTULINUM TOXIN SUBSTRATE 3, SIGNALING PROTEIN                       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.E.DEBRECZENI,X.YANG,Y.ZAO,J.ELKINS,C.GILEADI,N.BURGESS,S.COLEBROOK, 
AUTHOR   2 O.GILEADI,O.FEDOROV,G.BUNKOCZI,F.VON DELFT,D.DOYLE,M.SUNDSTROM,      
AUTHOR   3 C.ARROWSMITH,J.WEIGELT,A.EDWARDS                                     
REVDAT   6   28-FEB-18 2C2H    1       SOURCE                                   
REVDAT   5   24-JAN-18 2C2H    1       AUTHOR JRNL                              
REVDAT   4   13-JUL-11 2C2H    1       VERSN                                    
REVDAT   3   24-FEB-09 2C2H    1       VERSN                                    
REVDAT   2   17-NOV-05 2C2H    1       SOURCE                                   
REVDAT   1   13-OCT-05 2C2H    0                                                
JRNL        AUTH   J.E.DEBRECZENI,X.YANG,Y.ZAO,J.ELKINS,C.GILEADI,N.BURGESS,    
JRNL        AUTH 2 S.COLEBROOK,O.GILEADI,O.FEDOROV,G.BUNKOCZI,F.VON DELFT,      
JRNL        AUTH 3 D.DOYLE,M.SUNDSTROM,C.ARROWSMITH,J.WEIGELT,A.EDWARDS         
JRNL        TITL   CRYSTAL STRUCTURE OF THE HUMAN RAC3 IN COMPLEX WITH GDP      
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.85 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.2.0005                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 62.14                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 90.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 27267                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.195                           
REMARK   3   R VALUE            (WORKING SET) : 0.194                           
REMARK   3   FREE R VALUE                     : 0.229                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1461                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 1.85                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.90                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1988                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2910                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 109                          
REMARK   3   BIN FREE R VALUE                    : 0.3400                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2548                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 289                                     
REMARK   3   SOLVENT ATOMS            : 166                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   B VALUE TYPE : LIKELY RESIDUAL                                     
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 23.62                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.40000                                             
REMARK   3    B22 (A**2) : -0.40000                                             
REMARK   3    B33 (A**2) : 0.59000                                              
REMARK   3    B12 (A**2) : -0.20000                                             
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.168         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.148         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.114         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.301         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.953                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.932                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  2917 ; 0.012 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  2538 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  4052 ; 1.773 ; 2.093       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  5859 ; 0.840 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   344 ; 5.590 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    93 ;39.047 ;23.548       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   403 ;13.635 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    13 ;25.621 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   467 ; 0.084 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  3040 ; 0.005 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   565 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   630 ; 0.223 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  2607 ; 0.181 ; 0.200       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  1401 ; 0.196 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  1628 ; 0.085 ; 0.200       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):   180 ; 0.184 ; 0.200       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):    27 ; 0.289 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):    84 ; 0.298 ; 0.200       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):    31 ; 0.244 ; 0.200       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  1754 ; 0.656 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  2758 ; 1.046 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  1445 ; 1.684 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  1289 ; 2.428 ; 4.500       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : 1                                 
REMARK   3                                                                      
REMARK   3  NCS GROUP NUMBER               : 1                                  
REMARK   3     CHAIN NAMES                    : A B                             
REMARK   3     NUMBER OF COMPONENTS NCS GROUP : 1                               
REMARK   3       COMPONENT C  SSSEQI  TO  C   SSSEQI   CODE                     
REMARK   3           1     A      3       A     177      5                      
REMARK   3           1     B      3       B     177      5                      
REMARK   3                   GROUP CHAIN        COUNT   RMS     WEIGHT          
REMARK   3   MEDIUM POSITIONAL  1    A    (A):    978 ;  0.11 ;  0.50           
REMARK   3   LOOSE POSITIONAL   1    A    (A):   1396 ;  0.31 ;  5.00           
REMARK   3   MEDIUM THERMAL     1    A (A**2):    978 ;  0.60 ;  2.00           
REMARK   3   LOOSE THERMAL      1    A (A**2):   1396 ;  0.98 ; 10.00           
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 2                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     3        A   177                          
REMARK   3    ORIGIN FOR THE GROUP (A):  13.7864 -19.1033  32.5224              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0849 T22:  -0.0826                                     
REMARK   3      T33:  -0.1030 T12:   0.0038                                     
REMARK   3      T13:   0.0049 T23:   0.0211                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.5823 L22:   2.4818                                     
REMARK   3      L33:   2.0716 L12:  -1.0786                                     
REMARK   3      L13:  -0.6073 L23:   0.5761                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0089 S12:   0.1193 S13:  -0.0066                       
REMARK   3      S21:  -0.0102 S22:  -0.0385 S23:  -0.0407                       
REMARK   3      S31:   0.0933 S32:  -0.0336 S33:   0.0474                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B     3        B   177                          
REMARK   3    ORIGIN FOR THE GROUP (A):  38.4781 -15.0469  56.5043              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0095 T22:  -0.0088                                     
REMARK   3      T33:   0.0462 T12:  -0.0219                                     
REMARK   3      T13:  -0.0350 T23:   0.0192                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4130 L22:   2.3227                                     
REMARK   3      L33:   1.7924 L12:  -0.8352                                     
REMARK   3      L13:  -0.3517 L23:   0.1268                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0444 S12:   0.0062 S13:   0.3054                       
REMARK   3      S21:  -0.0033 S22:  -0.0579 S23:   0.1854                       
REMARK   3      S31:  -0.0635 S32:  -0.0738 S33:   0.0136                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : BABINET MODEL WITH MASK                              
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS.                                                          
REMARK   4                                                                      
REMARK   4 2C2H COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-SEP-05.                  
REMARK 100 THE DEPOSITION ID IS D_1290025813.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 03-SEP-05                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 7.50                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SLS                                
REMARK 200  BEAMLINE                       : X10SA                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0038                             
REMARK 200  MONOCHROMATOR                  : SI111                              
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : XSCALE                             
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 28734                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.850                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 27.070                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 91.3                               
REMARK 200  DATA REDUNDANCY                : 3.240                              
REMARK 200  R MERGE                    (I) : 0.07000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.9900                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.90                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 93.1                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.76                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.51000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1G4U                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 44.60                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 30% MPD, 0.5 M AMMONIUM SULFATE, 0.1 M   
REMARK 280  HEPES PH 4.5, PH 7.50                                               
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   X+2/3,Y+1/3,Z+1/3                                       
REMARK 290       5555   -Y+2/3,X-Y+1/3,Z+1/3                                    
REMARK 290       6555   -X+Y+2/3,-X+1/3,Z+1/3                                   
REMARK 290       7555   X+1/3,Y+2/3,Z+2/3                                       
REMARK 290       8555   -Y+1/3,X-Y+2/3,Z+2/3                                    
REMARK 290       9555   -X+Y+1/3,-X+2/3,Z+2/3                                   
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       55.16000            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       31.84664            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       27.26333            
REMARK 290   SMTRY1   5 -0.500000 -0.866025  0.000000       55.16000            
REMARK 290   SMTRY2   5  0.866025 -0.500000  0.000000       31.84664            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       27.26333            
REMARK 290   SMTRY1   6 -0.500000  0.866025  0.000000       55.16000            
REMARK 290   SMTRY2   6 -0.866025 -0.500000  0.000000       31.84664            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       27.26333            
REMARK 290   SMTRY1   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       63.69328            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000       54.52667            
REMARK 290   SMTRY1   8 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.866025 -0.500000  0.000000       63.69328            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000       54.52667            
REMARK 290   SMTRY1   9 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025 -0.500000  0.000000       63.69328            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000       54.52667            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PQS                                                   
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375 CA    CA A1187  LIES ON A SPECIAL POSITION.                          
REMARK 375 CA    CA B1186  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A2097  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A2104  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A2105  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B2057  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B2059  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH B2060  LIES ON A SPECIAL POSITION.                          
REMARK 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400 ENGINEERED RESIDUE IN CHAIN A, CYS 178 TO GLY                        
REMARK 400 ENGINEERED RESIDUE IN CHAIN B, CYS 178 TO GLY                        
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     GLN A     2                                                      
REMARK 465     GLU A    31                                                      
REMARK 465     TYR A    32                                                      
REMARK 465     ILE A    33                                                      
REMARK 465     PRO A    34                                                      
REMARK 465     THR A    35                                                      
REMARK 465     VAL A    36                                                      
REMARK 465     PHE A    37                                                      
REMARK 465     GLY A   178                                                      
REMARK 465     PRO A   179                                                      
REMARK 465     PRO A   180                                                      
REMARK 465     PRO A   181                                                      
REMARK 465     VAL A   182                                                      
REMARK 465     LYS A   183                                                      
REMARK 465     LYS A   184                                                      
REMARK 465     PRO A   185                                                      
REMARK 465     GLY A   186                                                      
REMARK 465     LYS A   187                                                      
REMARK 465     LYS A   188                                                      
REMARK 465     CYS A   189                                                      
REMARK 465     THR A   190                                                      
REMARK 465     VAL A   191                                                      
REMARK 465     PHE A   192                                                      
REMARK 465     PRO B    34                                                      
REMARK 465     THR B    35                                                      
REMARK 465     VAL B    36                                                      
REMARK 465     PHE B    37                                                      
REMARK 465     GLY B   178                                                      
REMARK 465     PRO B   179                                                      
REMARK 465     PRO B   180                                                      
REMARK 465     PRO B   181                                                      
REMARK 465     VAL B   182                                                      
REMARK 465     LYS B   183                                                      
REMARK 465     LYS B   184                                                      
REMARK 465     PRO B   185                                                      
REMARK 465     GLY B   186                                                      
REMARK 465     LYS B   187                                                      
REMARK 465     LYS B   188                                                      
REMARK 465     CYS B   189                                                      
REMARK 465     THR B   190                                                      
REMARK 465     VAL B   191                                                      
REMARK 465     PHE B   192                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ASP A  47    CG   OD1  OD2                                       
REMARK 470     LYS A  49    CE   NZ                                             
REMARK 470     GLU A  62    CD   OE1  OE2                                       
REMARK 470     GLU A  91    CD   OE1  OE2                                       
REMARK 470     ASP A 121    CG   OD1  OD2                                       
REMARK 470     LYS A 123    CG   CD   CE   NZ                                   
REMARK 470     ASP A 124    CG   OD1  OD2                                       
REMARK 470     GLU A 127    CG   CD   OE1  OE2                                  
REMARK 470     ARG A 128    CZ   NH1  NH2                                       
REMARK 470     ARG A 130    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 132    CD   CE   NZ                                        
REMARK 470     LYS A 133    CG   CD   CE   NZ                                   
REMARK 470     LYS A 153    CE   NZ                                             
REMARK 470     GLN B   2    CG   CD   OE1  NE2                                  
REMARK 470     GLU B  31    CD   OE1  OE2                                       
REMARK 470     TYR B  32    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     ILE B  33    CG1  CG2  CD1                                       
REMARK 470     ASP B  47    CG   OD1  OD2                                       
REMARK 470     GLU B  62    CG   CD   OE1  OE2                                  
REMARK 470     ASP B  63    CG   OD1  OD2                                       
REMARK 470     ARG B  66    CD   NE   CZ   NH1  NH2                             
REMARK 470     GLU B  91    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 123    CD   CE   NZ                                        
REMARK 470     GLU B 127    CG   CD   OE1  OE2                                  
REMARK 470     ARG B 128    NE   CZ   NH1  NH2                                  
REMARK 470     ARG B 130    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASP B 131    CG   OD1  OD2                                       
REMARK 470     LYS B 132    CE   NZ                                             
REMARK 470     LYS B 133    CG   CD   CE   NZ                                   
REMARK 470     LYS B 153    NZ                                                  
REMARK 470     ARG B 163    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B 166    CD   CE   NZ                                        
REMARK 470     ARG B 174    CD   NE   CZ   NH1  NH2                             
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O2   SO4 B  1188     O    HOH B  2061              1.99            
REMARK 500   O    HOH B  2047     O    HOH B  2054              2.07            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    ARG A  68   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    LYS A  96      -61.00   -129.84                                   
REMARK 500    LYS B  96      -54.85   -131.72                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A1190  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A1178   O1B                                                    
REMARK 620 2 HOH A2082   O    90.6                                              
REMARK 620 3 HOH A2081   O    83.7  87.9                                        
REMARK 620 4 HOH A2019   O   100.3  90.1 175.5                                  
REMARK 620 5 HOH A2008   O   164.4  90.5  80.8  95.3                            
REMARK 620 6 THR A  17   OG1  92.8 175.5  89.4  92.3  85.4                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A1191  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A1179   O1B                                                    
REMARK 620 2 GDP A1180   O1B  97.4                                              
REMARK 620 3 HOH A2089   O   177.1  85.2                                        
REMARK 620 4 HOH A2086   O    81.1 176.5  96.4                                  
REMARK 620 5 GDP A1180   O1A  94.2  86.6  87.2  90.3                            
REMARK 620 6 GDP A1179   O1A  88.4  90.8  90.3  92.3 176.5                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1184  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A1179   O3B                                                    
REMARK 620 2 GDP A1180   O3B 121.7                                              
REMARK 620 3 GDP A1180   N7  111.6  96.4                                        
REMARK 620 4 HIS A 103   NE2 116.7 103.5 103.8                                  
REMARK 620 5 GDP A1179   O1B  47.7  84.2  90.0 163.1                            
REMARK 620 6 GDP A1180   O6   71.8 159.7  63.5  80.3  97.7                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1183  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A1179   N7                                                     
REMARK 620 2 GDP A1180   O2B  98.7                                              
REMARK 620 3 HIS A 104   NE2 127.1 105.2                                        
REMARK 620 4 GDP A1180   O3B  76.1  50.4  83.9                                  
REMARK 620 5 GDP A1179   O6   65.6 160.9  78.7 112.7                            
REMARK 620 6 HOH A2050   O   107.9 116.9 102.2 167.2  79.7                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1185  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A1181   O2B                                                    
REMARK 620 2 GDP A1181   N7   32.5                                              
REMARK 620 3 SO4 A1189   O2   52.8  32.5                                        
REMARK 620 4 GDP A1181   O1B  98.1  69.1  75.8                                  
REMARK 620 5 GDP A1181   N7  110.9 126.0 158.3  94.8                            
REMARK 620 6 SO4 A1189   O2  109.3  91.9  60.3  84.9 139.4                      
REMARK 620 7 SO4 A1189   S   116.8 105.4  73.0  97.4 128.2  15.8                
REMARK 620 8 HOH A2105   O    79.2  50.7  29.1  54.9 149.6  46.2  61.9          
REMARK 620 9 HOH A2105   O    79.2  50.7  29.1  54.9 149.6  46.2  61.9   0.0    
REMARK 620 N                    1     2     3     4     5     6     7     8     
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1186  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A1181   O3B                                                    
REMARK 620 2 SO4 A1188   O4   97.4                                              
REMARK 620 3 SO4 A1189   O1  114.5  82.5                                        
REMARK 620 4 HIS A 107   NE2  95.9 155.0 110.9                                  
REMARK 620 5 SO4 A1188   O2  112.5  43.0 110.3 112.1                            
REMARK 620 6 SO4 A1189   O2   67.3  86.1  47.2 118.6 129.1                      
REMARK 620 7 SO4 A1189   S    94.2  75.8  22.0 124.2 114.0  27.5                
REMARK 620 8 SO4 A1188   S   107.4  25.6  99.4 129.4  17.4 111.7  98.7          
REMARK 620 N                    1     2     3     4     5     6     7           
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1187  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP A1181   O1A                                                    
REMARK 620 2 GDP A1181   O1A   0.0                                              
REMARK 620 3 GDP A1181   O1A   0.0   0.0                                        
REMARK 620 4 GDP A1181   O1B  90.7  90.7  90.7                                  
REMARK 620 5 GDP A1181   O1B  92.5  92.5  92.5  86.1                            
REMARK 620 6 GDP A1181   O1B 176.6 176.6 176.6  86.1  86.1                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA A1193  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 SO4 A1188   O4                                                     
REMARK 620 2 SO4 A1189   O3  115.7                                              
REMARK 620 3 SO4 A1189   O4  114.6  15.0                                        
REMARK 620 4 SO4 A1189   O2   86.1  93.2  78.2                                  
REMARK 620 5 HOH A2104   O   157.2  50.9  47.0  77.3                            
REMARK 620 6 HOH A2103   O    82.8 104.4 119.3 162.0 116.9                      
REMARK 620 7 SO4 A1189   S   105.2 101.0  87.3  26.7  65.3 146.6                
REMARK 620 8 SO4 A1189   O3  103.7 120.4 108.0  45.6  75.6 124.1  22.8          
REMARK 620 9 SO4 A1189   S    99.7  17.5  17.3  85.1  63.8 110.7  99.9 122.1    
REMARK 620 N                    1     2     3     4     5     6     7     8     
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG A1192  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HOH A2102   O                                                      
REMARK 620 2 HOH A2001   O    94.4                                              
REMARK 620 3 HOH A2094   O    93.1  93.9                                        
REMARK 620 4 HOH A2087   O   171.3  86.8  95.4                                  
REMARK 620 5 HOH A2085   O    81.3  96.1 168.9  90.1                            
REMARK 620 6 GDP A1180   O6   89.0 174.4  81.4  90.6  88.9                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG B1189  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP B1178   O2B                                                    
REMARK 620 2 HOH B2044   O    92.6                                              
REMARK 620 3 HOH B2013   O    97.6 104.6                                        
REMARK 620 4 HOH B2005   O   158.9  87.3 102.9                                  
REMARK 620 5 HOH B2045   O    83.5  80.7 174.4  75.6                            
REMARK 620 6 THR B  17   OG1  88.0 166.4  88.8  87.3  85.8                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              MG B1190  MG                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP B1179   O3B                                                    
REMARK 620 2 GDP B1179   O1A  85.8                                              
REMARK 620 3 HOH B2046   O   168.5  85.3                                        
REMARK 620 4 HOH B2048   O    90.7  90.8  82.1                                  
REMARK 620 5 GDP B1180   O1A  96.0 177.9  93.0  90.1                            
REMARK 620 6 GDP B1180   O3B  96.5  87.1  90.4 172.3  91.7                      
REMARK 620 N                    1     2     3     4     5                       
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B1184  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP B1179   N7                                                     
REMARK 620 2 GDP B1180   O1B 101.3                                              
REMARK 620 3 HOH B2049   O   137.2  87.3                                        
REMARK 620 4 GDP B1180   O2B  79.4  50.4 132.5                                  
REMARK 620 5 HIS B 104   NE2 127.3 107.6  87.9  86.4                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B1185  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP B1179   O2B                                                    
REMARK 620 2 GDP B1180   O2B 116.4                                              
REMARK 620 3 GDP B1179   O3B  49.4  79.7                                        
REMARK 620 4 GDP B1180   N7  117.1  97.6  92.7                                  
REMARK 620 5 HIS B 103   NE2 109.7 106.4 156.5 108.6                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B1182  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP B1181   O1B                                                    
REMARK 620 2 SO4 B1188   O1   93.6                                              
REMARK 620 3 SO4 B1188   O3  112.5  44.0                                        
REMARK 620 4 SO4 B1188   S   104.0  25.6  18.5                                  
REMARK 620 5 SO4 B1187   O3   68.0  84.6 128.2 110.2                            
REMARK 620 6 SO4 B1187   O4  112.8  85.7 112.1 102.8  44.9                      
REMARK 620 7 SO4 B1187   S    94.0  77.6 114.7 100.2  26.4  20.7                
REMARK 620 8 HIS B 107   NE2  97.8 154.0 110.0 128.4 121.4 110.8 124.4          
REMARK 620 N                    1     2     3     4     5     6     7           
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B1183  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP B1181   O3B                                                    
REMARK 620 2 GDP B1181   N7   27.6                                              
REMARK 620 3 SO4 B1187   O3   52.8  33.6                                        
REMARK 620 4 GDP B1181   N7  110.5 126.7 160.2                                  
REMARK 620 5 GDP B1181   O1B 144.4 120.6 111.8  75.2                            
REMARK 620 6 SO4 B1187   S   116.1 102.7  69.1 130.5  76.9                      
REMARK 620 7 HOH B2059   O    75.3  49.5  27.6 150.8  84.2  61.6                
REMARK 620 8 HOH B2059   O    75.3  49.5  27.6 150.8  84.2  61.6   0.0          
REMARK 620 9 HOH B2059   O    75.3  49.4  27.6 150.8  84.2  61.6   0.0   0.0    
REMARK 620 N                    1     2     3     4     5     6     7     8     
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B1186  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GDP B1181   O1A                                                    
REMARK 620 2 HOH B2059   O   126.2                                              
REMARK 620 3 HOH B2059   O   126.3   0.0                                        
REMARK 620 4 HOH B2059   O   126.3   0.0   0.0                                  
REMARK 620 5 GDP B1181   O1A  96.9 123.2 123.2 123.2                            
REMARK 620 6 GDP B1181   O1A   0.0 126.2 126.3 126.3  96.9                      
REMARK 620 7 GDP B1181   O2B  91.9  52.0  52.0  52.0 170.8  91.9                
REMARK 620 8 GDP B1181   O2B 174.7  51.9  51.8  51.8  87.8 174.7  83.3          
REMARK 620 9 GDP B1181   O2B  95.6  52.1  52.1  52.1  93.8  95.6  88.2  86.5    
REMARK 620 N                    1     2     3     4     5     6     7     8     
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B1191  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 SO4 B1187   O2                                                     
REMARK 620 2 SO4 B1187   O1   37.4                                              
REMARK 620 3 SO4 B1188   O1   33.2   7.6                                        
REMARK 620 4 SO4 B1187   S    69.0  32.1  35.8                                  
REMARK 620 5 HOH B2061   O    29.6  20.9  24.0  49.7                            
REMARK 620 6 SO4 B1188   S    24.2  15.0   9.2  45.0  22.5                      
REMARK 620 7 SO4 B1187   O3   66.2  33.8  34.2  14.7  54.3  42.5                
REMARK 620 8 HOH B2060   O    73.8  39.8  47.0  27.3  45.5  54.7  41.9          
REMARK 620 9 HOH B2060   O    73.8  39.8  47.0  27.4  45.4  54.7  41.9   0.0    
REMARK 620 N                    1     2     3     4     5     6     7     8     
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A1183                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A1184                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A1185                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A1186                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A1187                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A1188                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A1189                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A1190                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A1191                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A1192                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A1193                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B1182                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B1183                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B1184                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B1185                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B1186                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B1187                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: BC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B1188                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B1189                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG B1190                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA B1191                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A1178                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC5                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A1179                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC6                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A1180                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC7                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A1181                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC8                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A1182                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: CC9                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP B1178                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP B1179                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP B1180                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: DC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP B1181                 
DBREF  2C2H A    1   192  UNP    P60763   RAC3_HUMAN       1    192             
DBREF  2C2H B    1   192  UNP    P60763   RAC3_HUMAN       1    192             
SEQRES   1 A  192  MET GLN ALA ILE LYS CYS VAL VAL VAL GLY ASP GLY ALA          
SEQRES   2 A  192  VAL GLY LYS THR CYS LEU LEU ILE SER TYR THR THR ASN          
SEQRES   3 A  192  ALA PHE PRO GLY GLU TYR ILE PRO THR VAL PHE ASP ASN          
SEQRES   4 A  192  TYR SER ALA ASN VAL MET VAL ASP GLY LYS PRO VAL ASN          
SEQRES   5 A  192  LEU GLY LEU TRP ASP THR ALA GLY GLN GLU ASP TYR ASP          
SEQRES   6 A  192  ARG LEU ARG PRO LEU SER TYR PRO GLN THR ASP VAL PHE          
SEQRES   7 A  192  LEU ILE CYS PHE SER LEU VAL SER PRO ALA SER PHE GLU          
SEQRES   8 A  192  ASN VAL ARG ALA LYS TRP TYR PRO GLU VAL ARG HIS HIS          
SEQRES   9 A  192  CYS PRO HIS THR PRO ILE LEU LEU VAL GLY THR LYS LEU          
SEQRES  10 A  192  ASP LEU ARG ASP ASP LYS ASP THR ILE GLU ARG LEU ARG          
SEQRES  11 A  192  ASP LYS LYS LEU ALA PRO ILE THR TYR PRO GLN GLY LEU          
SEQRES  12 A  192  ALA MET ALA ARG GLU ILE GLY SER VAL LYS TYR LEU GLU          
SEQRES  13 A  192  CYS SER ALA LEU THR GLN ARG GLY LEU LYS THR VAL PHE          
SEQRES  14 A  192  ASP GLU ALA ILE ARG ALA VAL LEU GLY PRO PRO PRO VAL          
SEQRES  15 A  192  LYS LYS PRO GLY LYS LYS CYS THR VAL PHE                      
SEQRES   1 B  192  MET GLN ALA ILE LYS CYS VAL VAL VAL GLY ASP GLY ALA          
SEQRES   2 B  192  VAL GLY LYS THR CYS LEU LEU ILE SER TYR THR THR ASN          
SEQRES   3 B  192  ALA PHE PRO GLY GLU TYR ILE PRO THR VAL PHE ASP ASN          
SEQRES   4 B  192  TYR SER ALA ASN VAL MET VAL ASP GLY LYS PRO VAL ASN          
SEQRES   5 B  192  LEU GLY LEU TRP ASP THR ALA GLY GLN GLU ASP TYR ASP          
SEQRES   6 B  192  ARG LEU ARG PRO LEU SER TYR PRO GLN THR ASP VAL PHE          
SEQRES   7 B  192  LEU ILE CYS PHE SER LEU VAL SER PRO ALA SER PHE GLU          
SEQRES   8 B  192  ASN VAL ARG ALA LYS TRP TYR PRO GLU VAL ARG HIS HIS          
SEQRES   9 B  192  CYS PRO HIS THR PRO ILE LEU LEU VAL GLY THR LYS LEU          
SEQRES  10 B  192  ASP LEU ARG ASP ASP LYS ASP THR ILE GLU ARG LEU ARG          
SEQRES  11 B  192  ASP LYS LYS LEU ALA PRO ILE THR TYR PRO GLN GLY LEU          
SEQRES  12 B  192  ALA MET ALA ARG GLU ILE GLY SER VAL LYS TYR LEU GLU          
SEQRES  13 B  192  CYS SER ALA LEU THR GLN ARG GLY LEU LYS THR VAL PHE          
SEQRES  14 B  192  ASP GLU ALA ILE ARG ALA VAL LEU GLY PRO PRO PRO VAL          
SEQRES  15 B  192  LYS LYS PRO GLY LYS LYS CYS THR VAL PHE                      
HET    GDP  A1178      28                                                       
HET    GDP  A1179      28                                                       
HET    GDP  A1180      28                                                       
HET    GDP  A1181      28                                                       
HET    GDP  A1182      37                                                       
HET     CA  A1183       1                                                       
HET     CA  A1184       1                                                       
HET     CA  A1185       1                                                       
HET     CA  A1186       1                                                       
HET     CA  A1187       1                                                       
HET    SO4  A1188       5                                                       
HET    SO4  A1189       5                                                       
HET     MG  A1190       1                                                       
HET     MG  A1191       1                                                       
HET     MG  A1192       1                                                       
HET     CA  A1193       1                                                       
HET    GDP  B1178      28                                                       
HET    GDP  B1179      28                                                       
HET    GDP  B1180      28                                                       
HET    GDP  B1181      28                                                       
HET     CA  B1182       1                                                       
HET     CA  B1183       1                                                       
HET     CA  B1184       1                                                       
HET     CA  B1185       1                                                       
HET     CA  B1186       1                                                       
HET    SO4  B1187       5                                                       
HET    SO4  B1188       5                                                       
HET     MG  B1189       1                                                       
HET     MG  B1190       1                                                       
HET     CA  B1191       1                                                       
HETNAM     GDP GUANOSINE-5'-DIPHOSPHATE                                         
HETNAM      CA CALCIUM ION                                                      
HETNAM     SO4 SULFATE ION                                                      
HETNAM      MG MAGNESIUM ION                                                    
FORMUL   3  GDP    9(C10 H15 N5 O11 P2)                                         
FORMUL   8   CA    12(CA 2+)                                                    
FORMUL  13  SO4    4(O4 S 2-)                                                   
FORMUL  15   MG    5(MG 2+)                                                     
FORMUL  33  HOH   *166(H2 O)                                                    
HELIX    1   1 GLY A   15  ASN A   26  1                                  12    
HELIX    2   2 GLN A   61  ASP A   65  5                                   5    
HELIX    3   3 LEU A   67  TYR A   72  5                                   6    
HELIX    4   4 SER A   86  LYS A   96  1                                  11    
HELIX    5   5 LYS A   96  CYS A  105  1                                  10    
HELIX    6   6 LYS A  116  ARG A  120  5                                   5    
HELIX    7   7 ASP A  122  LYS A  132  1                                  11    
HELIX    8   8 THR A  138  ILE A  149  1                                  12    
HELIX    9   9 GLY A  164  LEU A  177  1                                  14    
HELIX   10  10 GLY B   15  ASN B   26  1                                  12    
HELIX   11  11 GLN B   61  ASP B   65  5                                   5    
HELIX   12  12 LEU B   67  TYR B   72  5                                   6    
HELIX   13  13 SER B   86  LYS B   96  1                                  11    
HELIX   14  14 LYS B   96  CYS B  105  1                                  10    
HELIX   15  15 LYS B  116  ARG B  120  5                                   5    
HELIX   16  16 ASP B  122  ASP B  131  1                                  10    
HELIX   17  17 THR B  138  GLY B  150  1                                  13    
HELIX   18  18 GLY B  164  LEU B  177  1                                  14    
SHEET    1  AA 6 ASN A  39  VAL A  46  0                                        
SHEET    2  AA 6 LYS A  49  TRP A  56 -1  O  LYS A  49   N  VAL A  46           
SHEET    3  AA 6 ILE A   4  VAL A   9  1  O  ILE A   4   N  GLY A  54           
SHEET    4  AA 6 VAL A  77  SER A  83  1  O  VAL A  77   N  VAL A   7           
SHEET    5  AA 6 ILE A 110  THR A 115  1  O  LEU A 111   N  ILE A  80           
SHEET    6  AA 6 LYS A 153  GLU A 156  1  O  LYS A 153   N  LEU A 112           
SHEET    1  BA 6 ASN B  39  VAL B  46  0                                        
SHEET    2  BA 6 LYS B  49  ASP B  57 -1  O  LYS B  49   N  VAL B  46           
SHEET    3  BA 6 ALA B   3  GLY B  10  1  O  ILE B   4   N  GLY B  54           
SHEET    4  BA 6 VAL B  77  SER B  83  1  O  VAL B  77   N  VAL B   7           
SHEET    5  BA 6 ILE B 110  THR B 115  1  O  LEU B 111   N  ILE B  80           
SHEET    6  BA 6 LYS B 153  GLU B 156  1  O  LYS B 153   N  LEU B 112           
LINK         O1B GDP A1178                MG    MG A1190     1555   1555  2.05  
LINK         O1B GDP A1179                MG    MG A1191     1555   1555  2.01  
LINK         O3B GDP A1179                CA    CA A1184     1555   1555  1.67  
LINK         N7  GDP A1179                CA    CA A1183     1555   1555  2.04  
LINK         O1B GDP A1180                MG    MG A1191     1555   1555  2.05  
LINK         O2B GDP A1180                CA    CA A1183     1555   1555  2.02  
LINK         O3B GDP A1180                CA    CA A1184     1555   1555  1.80  
LINK         N7  GDP A1180                CA    CA A1184     1555   1555  2.03  
LINK         O2B GDP A1181                CA    CA A1185     1555   1555  1.87  
LINK         O3B GDP A1181                CA    CA A1186     1555   1555  1.90  
LINK         O1A GDP A1181                CA    CA A1187     1555   1555  2.04  
LINK         O1A GDP A1181                CA    CA A1187     1555   2555  2.04  
LINK         N7  GDP A1181                CA    CA A1185     1555   3555  2.00  
LINK         O1A GDP A1181                CA    CA A1187     1555   3555  2.04  
LINK        CA    CA A1183                 NE2 HIS A 104     1555   1555  2.12  
LINK        CA    CA A1183                 O3B GDP A1180     1555   1555  3.27  
LINK        CA    CA A1183                 O6  GDP A1179     1555   1555  3.25  
LINK        CA    CA A1183                 O   HOH A2050     1555   1555  1.90  
LINK        CA    CA A1184                 NE2 HIS A 103     1555   1555  1.95  
LINK        CA    CA A1184                 O1B GDP A1179     1555   1555  3.20  
LINK        CA    CA A1184                 O6  GDP A1180     1555   1555  3.38  
LINK        CA    CA A1185                 O2  SO4 A1189     3555   1555  1.84  
LINK        CA    CA A1185                 O1B GDP A1181     1555   2555  2.28  
LINK        CA    CA A1185                 N7  GDP A1181     1555   2555  2.00  
LINK        CA    CA A1185                 O2  SO4 A1189     1555   2555  1.84  
LINK        CA    CA A1185                 S   SO4 A1189     1555   2555  3.21  
LINK        CA    CA A1185                 O   HOH A2105     1555   1555  3.30  
LINK        CA    CA A1185                 O   HOH A2105     1555   2555  3.30  
LINK        CA    CA A1185                 O   HOH A2105     1555   3555  3.30  
LINK        CA    CA A1185                 O3B GDP A1181     1555   2555  2.98  
LINK        CA    CA A1185                 O   HOH A2099     1555   2555  2.00  
LINK        CA    CA A1186                 O4  SO4 A1188     1555   1555  3.40  
LINK        CA    CA A1186                 O1  SO4 A1189     1555   1555  1.96  
LINK        CA    CA A1186                 NE2 HIS A 107     1555   1555  2.02  
LINK        CA    CA A1186                 O2  SO4 A1188     1555   1555  1.88  
LINK        CA    CA A1186                 O2  SO4 A1189     1555   1555  3.25  
LINK        CA    CA A1186                 S   SO4 A1189     1555   1555  3.12  
LINK        CA    CA A1186                 S   SO4 A1188     1555   1555  3.15  
LINK        CA    CA A1187                 O1B GDP A1181     1555   1555  2.20  
LINK        CA    CA A1187                 O1B GDP A1181     1555   2555  2.20  
LINK        CA    CA A1187                 O1B GDP A1181     1555   3555  2.20  
LINK         O4  SO4 A1188                CA    CA A1193     1555   1555  1.96  
LINK         O3  SO4 A1189                CA    CA A1193     1555   3555  1.88  
LINK         O4  SO4 A1189                CA    CA A1193     1555   1555  1.92  
LINK        MG    MG A1190                 O   HOH A2082     1555   1555  2.17  
LINK        MG    MG A1190                 O   HOH A2081     1555   1555  2.10  
LINK        MG    MG A1190                 O   HOH A2019     1555   1555  2.10  
LINK        MG    MG A1190                 O   HOH A2008     1555   1555  2.12  
LINK        MG    MG A1190                 OG1 THR A  17     1555   1555  1.98  
LINK        MG    MG A1191                 O   HOH A2089     1555   1555  2.18  
LINK        MG    MG A1191                 O   HOH A2086     1555   1555  2.22  
LINK        MG    MG A1191                 O1A GDP A1180     1555   1555  2.13  
LINK        MG    MG A1191                 O1A GDP A1179     1555   1555  2.06  
LINK        MG    MG A1192                 O   HOH A2102     1555   1555  2.23  
LINK        MG    MG A1192                 O   HOH A2001     1555   1555  2.12  
LINK        MG    MG A1192                 O   HOH A2094     1555   1555  2.56  
LINK        MG    MG A1192                 O   HOH A2087     1555   1555  1.95  
LINK        MG    MG A1192                 O   HOH A2085     1555   1555  2.12  
LINK        MG    MG A1192                 O6  GDP A1180     1555   1555  2.22  
LINK        CA    CA A1193                 O2  SO4 A1189     1555   2555  3.38  
LINK        CA    CA A1193                 O   HOH A2104     1555   1555  3.23  
LINK        CA    CA A1193                 O   HOH A2103     1555   1555  2.11  
LINK        CA    CA A1193                 S   SO4 A1189     1555   2555  3.04  
LINK        CA    CA A1193                 O3  SO4 A1189     1555   2555  1.88  
LINK        CA    CA A1193                 S   SO4 A1189     1555   1555  3.19  
LINK        CA    CA A1193                 S   SO4 A1188     1555   1555  3.24  
LINK        CA    CA A1193                 O   HOH A2104     1555   3555  3.23  
LINK        CA    CA A1193                 O   HOH A2104     1555   2555  3.23  
LINK         O2B GDP B1178                MG    MG B1189     1555   1555  2.01  
LINK         O3B GDP B1179                MG    MG B1190     1555   1555  1.85  
LINK         O1A GDP B1179                MG    MG B1190     1555   1555  2.03  
LINK         N7  GDP B1179                CA    CA B1184     1555   1555  2.03  
LINK         O2B GDP B1179                CA    CA B1185     1555   1555  1.76  
LINK         O1B GDP B1180                CA    CA B1184     1555   1555  1.93  
LINK         O2B GDP B1180                CA    CA B1185     1555   1555  1.69  
LINK         O1B GDP B1181                CA    CA B1182     1555   1555  1.97  
LINK         O3B GDP B1181                CA    CA B1183     1555   1555  1.78  
LINK         O1A GDP B1181                CA    CA B1186     1555   3655  2.02  
LINK         N7  GDP B1181                CA    CA B1183     1555   2545  2.02  
LINK        CA    CA B1182                 O1  SO4 B1188     1555   1555  3.36  
LINK        CA    CA B1182                 O3  SO4 B1188     1555   1555  1.84  
LINK        CA    CA B1182                 S   SO4 B1188     1555   1555  3.11  
LINK        CA    CA B1182                 O3  SO4 B1187     1555   1555  3.33  
LINK        CA    CA B1182                 O4  SO4 B1187     1555   1555  2.04  
LINK        CA    CA B1182                 S   SO4 B1187     1555   1555  3.18  
LINK        CA    CA B1182                 NE2 HIS B 107     1555   1555  2.05  
LINK        CA    CA B1183                 O3  SO4 B1187     2545   1555  1.97  
LINK        CA    CA B1183                 N7  GDP B1181     1555   3655  2.02  
LINK        CA    CA B1183                 O1B GDP B1181     1555   3655  3.00  
LINK        CA    CA B1183                 S   SO4 B1187     1555   3655  3.20  
LINK        CA    CA B1183                 O   HOH B2059     1555   3655  3.30  
LINK        CA    CA B1183                 O   HOH B2059     1555   2545  3.30  
LINK        CA    CA B1183                 O   HOH B2059     1555   1555  3.30  
LINK        CA    CA B1183                 O2B GDP B1181     1555   3655  2.22  
LINK        CA    CA B1183                 O3  SO4 B1187     1555   3655  1.97  
LINK        CA    CA B1184                 O   HOH B2049     1555   1555  1.78  
LINK        CA    CA B1184                 O2B GDP B1180     1555   1555  3.37  
LINK        CA    CA B1184                 NE2 HIS B 104     1555   1555  2.09  
LINK        CA    CA B1185                 O3B GDP B1179     1555   1555  3.23  
LINK        CA    CA B1185                 N7  GDP B1180     1555   1555  2.11  
LINK        CA    CA B1185                 NE2 HIS B 103     1555   1555  1.96  
LINK        CA    CA B1186                 O   HOH B2059     1555   3655  3.32  
LINK        CA    CA B1186                 O   HOH B2059     1555   2545  3.32  
LINK        CA    CA B1186                 O   HOH B2059     1555   1555  3.32  
LINK        CA    CA B1186                 O1A GDP B1181     1555   2545  2.02  
LINK        CA    CA B1186                 O1A GDP B1181     1555   1555  2.23  
LINK        CA    CA B1186                 O2B GDP B1181     1555   3655  2.28  
LINK        CA    CA B1186                 O2B GDP B1181     1555   2545  2.08  
LINK        CA    CA B1186                 O2B GDP B1181     1555   1555  2.21  
LINK         O2  SO4 B1187                CA    CA B1191     1555   2545  1.78  
LINK         O1  SO4 B1187                CA    CA B1191     1555   1555  1.91  
LINK         O1  SO4 B1188                CA    CA B1191     1555   1555  2.00  
LINK        MG    MG B1189                 O   HOH B2044     1555   1555  1.95  
LINK        MG    MG B1189                 O   HOH B2013     1555   1555  1.96  
LINK        MG    MG B1189                 O   HOH B2005     1555   1555  2.13  
LINK        MG    MG B1189                 O   HOH B2045     1555   1555  1.98  
LINK        MG    MG B1189                 OG1 THR B  17     1555   1555  2.10  
LINK        MG    MG B1190                 O   HOH B2046     1555   1555  1.97  
LINK        MG    MG B1190                 O   HOH B2048     1555   1555  1.78  
LINK        MG    MG B1190                 O1A GDP B1180     1555   1555  2.13  
LINK        MG    MG B1190                 O3B GDP B1180     1555   1555  2.10  
LINK        CA    CA B1191                 S   SO4 B1187     1555   3655  2.98  
LINK        CA    CA B1191                 O   HOH B2061     1555   1555  2.88  
LINK        CA    CA B1191                 S   SO4 B1188     1555   1555  3.23  
LINK        CA    CA B1191                 O3  SO4 B1187     1555   3655  3.36  
LINK        CA    CA B1191                 O   HOH B2060     1555   3655  3.30  
LINK        CA    CA B1191                 O   HOH B2060     1555   2545  3.30  
LINK        CA    CA B1191                 O   HOH B2060     1555   1555  3.30  
LINK        CA    CA B1191                 O2  SO4 B1187     1555   3655  1.78  
LINK        CA    CA B1191                 S   SO4 B1187     1555   1555  3.21  
SITE     1 AC1  4 HIS A 104  GDP A1179  GDP A1180  HOH A2050                    
SITE     1 AC2  3 HIS A 103  GDP A1179  GDP A1180                               
SITE     1 AC3  4 GDP A1180  GDP A1181  SO4 A1189  HOH A2099                    
SITE     1 AC4  4 HIS A 107  GDP A1181  SO4 A1188  SO4 A1189                    
SITE     1 AC5  1 GDP A1181                                                     
SITE     1 AC6 11 PRO A 106  HIS A 107  GDP A1180  GDP A1181                    
SITE     2 AC6 11  CA A1186  SO4 A1189   CA A1193  HOH A2048                    
SITE     3 AC6 11 HOH A2099  HOH A2102  HOH A2103                               
SITE     1 AC7  9 HIS A 107  GDP A1181   CA A1185   CA A1186                    
SITE     2 AC7  9 SO4 A1188   CA A1193  HOH A2099  HOH A2104                    
SITE     3 AC7  9 HOH A2105                                                     
SITE     1 AC8  6 THR A  17  GDP A1178  HOH A2008  HOH A2019                    
SITE     2 AC8  6 HOH A2081  HOH A2082                                          
SITE     1 AC9  4 GDP A1179  GDP A1180  HOH A2086  HOH A2089                    
SITE     1 BC1  6 GDP A1180  HOH A2001  HOH A2085  HOH A2087                    
SITE     2 BC1  6 HOH A2094  HOH A2102                                          
SITE     1 BC2  3 SO4 A1188  SO4 A1189  HOH A2103                               
SITE     1 BC3  4 HIS B 107  GDP B1181  SO4 B1187  SO4 B1188                    
SITE     1 BC4  2 GDP B1181  SO4 B1187                                          
SITE     1 BC5  4 HIS B 104  GDP B1179  GDP B1180  HOH B2049                    
SITE     1 BC6  3 HIS B 103  GDP B1179  GDP B1180                               
SITE     1 BC7  1 GDP B1181                                                     
SITE     1 BC8  8 HIS B 107  GDP B1181   CA B1182   CA B1183                    
SITE     2 BC8  8 SO4 B1188   CA B1191  HOH B2059  HOH B2060                    
SITE     1 BC9  8 PRO B 106  HIS B 107  GDP B1180  GDP B1181                    
SITE     2 BC9  8  CA B1182  SO4 B1187   CA B1191  HOH B2061                    
SITE     1 CC1  6 THR B  17  GDP B1178  HOH B2005  HOH B2013                    
SITE     2 CC1  6 HOH B2044  HOH B2045                                          
SITE     1 CC2  4 GDP B1179  GDP B1180  HOH B2046  HOH B2048                    
SITE     1 CC3  3 SO4 B1187  SO4 B1188  HOH B2061                               
SITE     1 CC4 21 ALA A  13  VAL A  14  GLY A  15  LYS A  16                    
SITE     2 CC4 21 THR A  17  CYS A  18  PHE A  28  LYS A 116                    
SITE     3 CC4 21 ASP A 118  LEU A 119  ARG A 147  SER A 158                    
SITE     4 CC4 21 ALA A 159  LEU A 160   MG A1190  HOH A2007                    
SITE     5 CC4 21 HOH A2080  HOH A2081  HOH A2082  HOH A2083                    
SITE     6 CC4 21 HOH A2084                                                     
SITE     1 CC5 13 PRO A  99  GLU A 100  HIS A 103  HIS A 104                    
SITE     2 CC5 13 GDP A1180  GDP A1181   CA A1183   CA A1184                    
SITE     3 CC5 13  MG A1191  HOH A2085  HOH A2086  HOH A2087                    
SITE     4 CC5 13 HOH A2089                                                     
SITE     1 CC6 19 HIS A 103  HIS A 104  PRO A 106  GDP A1179                    
SITE     2 CC6 19 GDP A1181   CA A1183   CA A1184   CA A1185                    
SITE     3 CC6 19 SO4 A1188   MG A1191   MG A1192  HOH A2085                    
SITE     4 CC6 19 HOH A2086  HOH A2087  HOH A2088  HOH A2089                    
SITE     5 CC6 19 HOH A2090  HOH A2091  HOH A2092                               
SITE     1 CC7 15 HIS A 107  GDP A1179  GDP A1180   CA A1185                    
SITE     2 CC7 15  CA A1186   CA A1187  SO4 A1188  SO4 A1189                    
SITE     3 CC7 15 HOH A2052  HOH A2085  HOH A2095  HOH A2096                    
SITE     4 CC7 15 HOH A2098  HOH A2099  HOH A2105                               
SITE     1 CC8 12 ALA A  27  PHE A  28  GLY A  30  LEU A 117                    
SITE     2 CC8 12 ARG A 120  TYR A 139  GLU A 156  ARG A 163                    
SITE     3 CC8 12 HOH A2071  HOH A2100  HOH A2101  ASP B 170                    
SITE     1 CC9 18 ALA B  13  VAL B  14  GLY B  15  LYS B  16                    
SITE     2 CC9 18 THR B  17  CYS B  18  PHE B  28  LYS B 116                    
SITE     3 CC9 18 ASP B 118  LEU B 119  SER B 158  ALA B 159                    
SITE     4 CC9 18 LEU B 160   MG B1189  HOH B2003  HOH B2013                    
SITE     5 CC9 18 HOH B2044  HOH B2045                                          
SITE     1 DC1 12 PRO B  99  GLU B 100  HIS B 103  HIS B 104                    
SITE     2 DC1 12 GDP B1180  GDP B1181   CA B1184   CA B1185                    
SITE     3 DC1 12  MG B1190  HOH B2046  HOH B2047  HOH B2048                    
SITE     1 DC2 17 HIS B 103  HIS B 104  PRO B 106  GDP B1179                    
SITE     2 DC2 17 GDP B1181   CA B1184   CA B1185  SO4 B1188                    
SITE     3 DC2 17  MG B1190  HOH B2046  HOH B2048  HOH B2049                    
SITE     4 DC2 17 HOH B2050  HOH B2051  HOH B2052  HOH B2054                    
SITE     5 DC2 17 HOH B2055                                                     
SITE     1 DC3 15 HIS B 107  GDP B1179  GDP B1180   CA B1182                    
SITE     2 DC3 15  CA B1183   CA B1186  SO4 B1187  SO4 B1188                    
SITE     3 DC3 15 HOH B2029  HOH B2051  HOH B2055  HOH B2056                    
SITE     4 DC3 15 HOH B2057  HOH B2058  HOH B2059                               
CRYST1  110.320  110.320   81.790  90.00  90.00 120.00 H 3          18          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.009065  0.005233  0.000000        0.00000                         
SCALE2      0.000000  0.010467  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012226        0.00000                         
MTRIX1   1  0.163190  0.986500  0.013600       54.62536    1                    
MTRIX2   1  0.986580 -0.163250  0.003330      -32.00429    1                    
MTRIX3   1  0.005510  0.012870 -0.999900       89.00022    1                    
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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