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Database: PDB
Entry: 3RBG
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Original site: 3RBG 
HEADER    IMMUNE SYSTEM                           29-MAR-11   3RBG              
TITLE     CRYSTAL STRUCTURE ANALYSIS OF CLASS-I MHC RESTRICTED T-CELL ASSOCIATED
TITLE    2 MOLECULE                                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYTOTOXIC AND REGULATORY T-CELL MOLECULE;                  
COMPND   3 CHAIN: A, B, C, D;                                                   
COMPND   4 SYNONYM: CLASS-I MHC-RESTRICTED T-CELL-ASSOCIATED MOLECULE;          
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: CRTAM;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(AI);                                  
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET-28A+                                  
KEYWDS    IGV, CRTAM, STRUCTURAL GENOMICS, PSI-BIOLOGY, NEW YORK STRUCTURAL     
KEYWDS   2 GENOMICS RESEARCH CONSORTIUM, NYSGRC, ATOMS-TO-ANIMALS: THE IMMUNE   
KEYWDS   3 FUNCTION NETWORK, IFN, IMMUNE SYSTEM                                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.RUBINSTEIN,U.A.RAMAGOPAL,R.TORO,S.G.NATHENSON,A.FISER,S.C.ALMO,NEW  
AUTHOR   2 YORK STRUCTURAL GENOMICS RESEARCH CONSORTIUM (NYSGRC),ATOMS-TO-      
AUTHOR   3 ANIMALS: THE IMMUNE FUNCTION NETWORK (IFN)                           
REVDAT   3   25-OCT-17 3RBG    1       REMARK                                   
REVDAT   2   07-AUG-13 3RBG    1       JRNL   VERSN                             
REVDAT   1   25-MAY-11 3RBG    0                                                
JRNL        AUTH   R.RUBINSTEIN,U.A.RAMAGOPAL,S.G.NATHENSON,S.C.ALMO,A.FISER    
JRNL        TITL   FUNCTIONAL CLASSIFICATION OF IMMUNE REGULATORY PROTEINS.     
JRNL        REF    STRUCTURE                     V.  21   766 2013              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   23583034                                                     
JRNL        DOI    10.1016/J.STR.2013.02.022                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC                                               
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) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 28.47                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 23571                          
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) : 0.200                           
REMARK   3   R VALUE            (WORKING SET) : 0.198                           
REMARK   3   FREE R VALUE                     : 0.234                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1190                            
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) : 2.30                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.36                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1430                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 87.12                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2780                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 85                           
REMARK   3   BIN FREE R VALUE                    : 0.3270                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3146                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 20                                      
REMARK   3   SOLVENT ATOMS            : 116                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 38.20                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 30.17                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -13.73000                                            
REMARK   3    B22 (A**2) : -10.00000                                            
REMARK   3    B33 (A**2) : 23.72000                                             
REMARK   3    B12 (A**2) : 0.00000                                              
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): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.045         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.184         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.227         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.950                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.933                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  3270 ; 0.012 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  4473 ; 1.442 ; 1.964       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   409 ; 6.622 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   125 ;41.054 ;25.680       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   579 ;15.978 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     4 ;23.554 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   557 ; 0.089 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  2334 ; 0.005 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
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):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
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):  2030 ; 0.732 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  3347 ; 1.413 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  1240 ; 1.960 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  1124 ; 3.313 ; 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 : NULL                              
REMARK   3                                                                      
REMARK   3  TWIN DETAILS                                                        
REMARK   3   NUMBER OF TWIN DOMAINS  : 2                                        
REMARK   3      TWIN DOMAIN   : 1                                               
REMARK   3      TWIN OPERATOR : H, K, L                                         
REMARK   3      TWIN FRACTION : 0.551                                           
REMARK   3      TWIN DOMAIN   : 2                                               
REMARK   3      TWIN OPERATOR : K, H, -L                                        
REMARK   3      TWIN FRACTION : 0.449                                           
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.40                                          
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 U VALUES : REFINED INDIVIDUALLY                           
REMARK   4                                                                      
REMARK   4 3RBG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-APR-11.                  
REMARK 100 THE DEPOSITION ID IS D_1000064724.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 23-SEP-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.9                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X29A                               
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : NULL                               
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9793                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 23676                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.9                               
REMARK 200  DATA REDUNDANCY                : 5.500                              
REMARK 200  R MERGE                    (I) : 0.07600                            
REMARK 200  R SYM                      (I) : 0.05700                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.36                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.46200                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: MOLREP                                                
REMARK 200 STARTING MODEL: PDB ENTRY 1Z9M                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 47.40                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.49 M SODIUM PHOSPHATE, 0.91M           
REMARK 280  POTASIUM PHOSPHATE PH 6.9, VAPOR DIFFUSION, SITTING DROP,           
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
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 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       39.50900            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       39.50900            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       58.01000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       58.14550            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       58.01000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       58.14550            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       39.50900            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       58.01000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       58.14550            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       39.50900            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       58.01000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       58.14550            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2, 3                                                 
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 300 REMARK: ANALYTICAL ULTRA CENTRIFUGATION STUDIES SUGGESTS IT IS       
REMARK 300 DIMER IN SOLUTION.                                                   
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1860 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10510 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C                                  
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1880 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10240 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -21.0 KCAL/MOL                        
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 350   BIOMT1   2 -1.000000  0.000000  0.000000     -116.02000            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      -39.50900            
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 3                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1780 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10890 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: D                                     
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   BIOMT1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000      -39.50900            
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    16                                                      
REMARK 465     GLY A    17                                                      
REMARK 465     SER A    18                                                      
REMARK 465     MET A   118                                                      
REMARK 465     LYS A   119                                                      
REMARK 465     GLY A   120                                                      
REMARK 465     GLU A   121                                                      
REMARK 465     PHE A   122                                                      
REMARK 465     CYS A   123                                                      
REMARK 465     ARG A   124                                                      
REMARK 465     TYR A   125                                                      
REMARK 465     PRO A   126                                                      
REMARK 465     SER A   127                                                      
REMARK 465     HIS A   128                                                      
REMARK 465     TRP A   129                                                      
REMARK 465     ARG A   130                                                      
REMARK 465     PRO A   131                                                      
REMARK 465     LEU A   132                                                      
REMARK 465     GLU A   133                                                      
REMARK 465     HIS A   134                                                      
REMARK 465     HIS A   135                                                      
REMARK 465     HIS A   136                                                      
REMARK 465     HIS A   137                                                      
REMARK 465     HIS A   138                                                      
REMARK 465     HIS A   139                                                      
REMARK 465     MET B    16                                                      
REMARK 465     GLY B    17                                                      
REMARK 465     THR B   117                                                      
REMARK 465     MET B   118                                                      
REMARK 465     LYS B   119                                                      
REMARK 465     GLY B   120                                                      
REMARK 465     GLU B   121                                                      
REMARK 465     PHE B   122                                                      
REMARK 465     CYS B   123                                                      
REMARK 465     ARG B   124                                                      
REMARK 465     TYR B   125                                                      
REMARK 465     PRO B   126                                                      
REMARK 465     SER B   127                                                      
REMARK 465     HIS B   128                                                      
REMARK 465     TRP B   129                                                      
REMARK 465     ARG B   130                                                      
REMARK 465     PRO B   131                                                      
REMARK 465     LEU B   132                                                      
REMARK 465     GLU B   133                                                      
REMARK 465     HIS B   134                                                      
REMARK 465     HIS B   135                                                      
REMARK 465     HIS B   136                                                      
REMARK 465     HIS B   137                                                      
REMARK 465     HIS B   138                                                      
REMARK 465     HIS B   139                                                      
REMARK 465     MET C    16                                                      
REMARK 465     GLY C    17                                                      
REMARK 465     MET C   118                                                      
REMARK 465     LYS C   119                                                      
REMARK 465     GLY C   120                                                      
REMARK 465     GLU C   121                                                      
REMARK 465     PHE C   122                                                      
REMARK 465     CYS C   123                                                      
REMARK 465     ARG C   124                                                      
REMARK 465     TYR C   125                                                      
REMARK 465     PRO C   126                                                      
REMARK 465     SER C   127                                                      
REMARK 465     HIS C   128                                                      
REMARK 465     TRP C   129                                                      
REMARK 465     ARG C   130                                                      
REMARK 465     PRO C   131                                                      
REMARK 465     LEU C   132                                                      
REMARK 465     GLU C   133                                                      
REMARK 465     HIS C   134                                                      
REMARK 465     HIS C   135                                                      
REMARK 465     HIS C   136                                                      
REMARK 465     HIS C   137                                                      
REMARK 465     HIS C   138                                                      
REMARK 465     HIS C   139                                                      
REMARK 465     MET D    16                                                      
REMARK 465     GLY D    17                                                      
REMARK 465     GLU D   121                                                      
REMARK 465     PHE D   122                                                      
REMARK 465     CYS D   123                                                      
REMARK 465     ARG D   124                                                      
REMARK 465     TYR D   125                                                      
REMARK 465     PRO D   126                                                      
REMARK 465     SER D   127                                                      
REMARK 465     HIS D   128                                                      
REMARK 465     TRP D   129                                                      
REMARK 465     ARG D   130                                                      
REMARK 465     PRO D   131                                                      
REMARK 465     LEU D   132                                                      
REMARK 465     GLU D   133                                                      
REMARK 465     HIS D   134                                                      
REMARK 465     HIS D   135                                                      
REMARK 465     HIS D   136                                                      
REMARK 465     HIS D   137                                                      
REMARK 465     HIS D   138                                                      
REMARK 465     HIS D   139                                                      
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     LYS B  44    CG   CD   CE   NZ                                   
REMARK 470     LYS D  44    CD   CE   NZ                                        
REMARK 470     ASN D  68    CG   OD1  ND2                                       
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    ASN A  61     -141.90     52.65                                   
REMARK 500    SER A 102     -148.75   -123.03                                   
REMARK 500    SER A 102     -148.55   -123.27                                   
REMARK 500    ASN B  61     -130.24     50.68                                   
REMARK 500    SER B 102     -120.74   -126.28                                   
REMARK 500    SER B 102     -147.40   -131.30                                   
REMARK 500    SER B 104     -167.51   -123.46                                   
REMARK 500    ASN C  61     -139.16     50.14                                   
REMARK 500    SER C 102     -139.05   -128.12                                   
REMARK 500    SER C 102     -134.36   -128.16                                   
REMARK 500    ASN D  61     -127.18     49.53                                   
REMARK 500    ASN D  87       41.77     39.51                                   
REMARK 500    SER D 102     -126.23   -132.22                                   
REMARK 500    SER D 102     -155.26   -134.37                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 3                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 2                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 C 4                   
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC4                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 D 1                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: NYSGRC-005622   RELATED DB: TARGETDB                     
DBREF  3RBG A   18   117  UNP    O95727   CRTAM_HUMAN     18    117             
DBREF  3RBG B   18   117  UNP    O95727   CRTAM_HUMAN     18    117             
DBREF  3RBG C   18   117  UNP    O95727   CRTAM_HUMAN     18    117             
DBREF  3RBG D   18   117  UNP    O95727   CRTAM_HUMAN     18    117             
SEQADV 3RBG MET A   16  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY A   17  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG VAL A   65  UNP  O95727    ALA    65 CONFLICT                       
SEQADV 3RBG MET A  118  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LYS A  119  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY A  120  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU A  121  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PHE A  122  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG CYS A  123  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG A  124  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TYR A  125  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO A  126  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG SER A  127  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS A  128  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TRP A  129  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG A  130  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO A  131  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LEU A  132  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU A  133  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS A  134  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS A  135  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS A  136  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS A  137  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS A  138  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS A  139  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG MET B   16  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY B   17  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG VAL B   65  UNP  O95727    ALA    65 ENGINEERED MUTATION            
SEQADV 3RBG MET B  118  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LYS B  119  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY B  120  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU B  121  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PHE B  122  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG CYS B  123  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG B  124  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TYR B  125  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO B  126  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG SER B  127  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS B  128  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TRP B  129  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG B  130  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO B  131  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LEU B  132  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU B  133  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS B  134  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS B  135  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS B  136  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS B  137  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS B  138  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS B  139  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG MET C   16  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY C   17  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG VAL C   65  UNP  O95727    ALA    65 ENGINEERED MUTATION            
SEQADV 3RBG MET C  118  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LYS C  119  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY C  120  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU C  121  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PHE C  122  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG CYS C  123  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG C  124  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TYR C  125  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO C  126  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG SER C  127  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS C  128  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TRP C  129  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG C  130  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO C  131  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LEU C  132  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU C  133  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS C  134  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS C  135  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS C  136  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS C  137  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS C  138  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS C  139  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG MET D   16  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY D   17  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG VAL D   65  UNP  O95727    ALA    65 ENGINEERED MUTATION            
SEQADV 3RBG MET D  118  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LYS D  119  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLY D  120  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU D  121  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PHE D  122  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG CYS D  123  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG D  124  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TYR D  125  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO D  126  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG SER D  127  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS D  128  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG TRP D  129  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG ARG D  130  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG PRO D  131  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG LEU D  132  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG GLU D  133  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS D  134  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS D  135  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS D  136  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS D  137  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS D  138  UNP  O95727              EXPRESSION TAG                 
SEQADV 3RBG HIS D  139  UNP  O95727              EXPRESSION TAG                 
SEQRES   1 A  124  MET GLY SER LEU THR ASN HIS THR GLU THR ILE THR VAL          
SEQRES   2 A  124  GLU GLU GLY GLN THR LEU THR LEU LYS CYS VAL THR SER          
SEQRES   3 A  124  LEU ARG LYS ASN SER SER LEU GLN TRP LEU THR PRO SER          
SEQRES   4 A  124  GLY PHE THR ILE PHE LEU ASN GLU TYR PRO VAL LEU LYS          
SEQRES   5 A  124  ASN SER LYS TYR GLN LEU LEU HIS HIS SER ALA ASN GLN          
SEQRES   6 A  124  LEU SER ILE THR VAL PRO ASN VAL THR LEU GLN ASP GLU          
SEQRES   7 A  124  GLY VAL TYR LYS CYS LEU HIS TYR SER ASP SER VAL SER          
SEQRES   8 A  124  THR LYS GLU VAL LYS VAL ILE VAL LEU ALA THR MET LYS          
SEQRES   9 A  124  GLY GLU PHE CYS ARG TYR PRO SER HIS TRP ARG PRO LEU          
SEQRES  10 A  124  GLU HIS HIS HIS HIS HIS HIS                                  
SEQRES   1 B  124  MET GLY SER LEU THR ASN HIS THR GLU THR ILE THR VAL          
SEQRES   2 B  124  GLU GLU GLY GLN THR LEU THR LEU LYS CYS VAL THR SER          
SEQRES   3 B  124  LEU ARG LYS ASN SER SER LEU GLN TRP LEU THR PRO SER          
SEQRES   4 B  124  GLY PHE THR ILE PHE LEU ASN GLU TYR PRO VAL LEU LYS          
SEQRES   5 B  124  ASN SER LYS TYR GLN LEU LEU HIS HIS SER ALA ASN GLN          
SEQRES   6 B  124  LEU SER ILE THR VAL PRO ASN VAL THR LEU GLN ASP GLU          
SEQRES   7 B  124  GLY VAL TYR LYS CYS LEU HIS TYR SER ASP SER VAL SER          
SEQRES   8 B  124  THR LYS GLU VAL LYS VAL ILE VAL LEU ALA THR MET LYS          
SEQRES   9 B  124  GLY GLU PHE CYS ARG TYR PRO SER HIS TRP ARG PRO LEU          
SEQRES  10 B  124  GLU HIS HIS HIS HIS HIS HIS                                  
SEQRES   1 C  124  MET GLY SER LEU THR ASN HIS THR GLU THR ILE THR VAL          
SEQRES   2 C  124  GLU GLU GLY GLN THR LEU THR LEU LYS CYS VAL THR SER          
SEQRES   3 C  124  LEU ARG LYS ASN SER SER LEU GLN TRP LEU THR PRO SER          
SEQRES   4 C  124  GLY PHE THR ILE PHE LEU ASN GLU TYR PRO VAL LEU LYS          
SEQRES   5 C  124  ASN SER LYS TYR GLN LEU LEU HIS HIS SER ALA ASN GLN          
SEQRES   6 C  124  LEU SER ILE THR VAL PRO ASN VAL THR LEU GLN ASP GLU          
SEQRES   7 C  124  GLY VAL TYR LYS CYS LEU HIS TYR SER ASP SER VAL SER          
SEQRES   8 C  124  THR LYS GLU VAL LYS VAL ILE VAL LEU ALA THR MET LYS          
SEQRES   9 C  124  GLY GLU PHE CYS ARG TYR PRO SER HIS TRP ARG PRO LEU          
SEQRES  10 C  124  GLU HIS HIS HIS HIS HIS HIS                                  
SEQRES   1 D  124  MET GLY SER LEU THR ASN HIS THR GLU THR ILE THR VAL          
SEQRES   2 D  124  GLU GLU GLY GLN THR LEU THR LEU LYS CYS VAL THR SER          
SEQRES   3 D  124  LEU ARG LYS ASN SER SER LEU GLN TRP LEU THR PRO SER          
SEQRES   4 D  124  GLY PHE THR ILE PHE LEU ASN GLU TYR PRO VAL LEU LYS          
SEQRES   5 D  124  ASN SER LYS TYR GLN LEU LEU HIS HIS SER ALA ASN GLN          
SEQRES   6 D  124  LEU SER ILE THR VAL PRO ASN VAL THR LEU GLN ASP GLU          
SEQRES   7 D  124  GLY VAL TYR LYS CYS LEU HIS TYR SER ASP SER VAL SER          
SEQRES   8 D  124  THR LYS GLU VAL LYS VAL ILE VAL LEU ALA THR MET LYS          
SEQRES   9 D  124  GLY GLU PHE CYS ARG TYR PRO SER HIS TRP ARG PRO LEU          
SEQRES  10 D  124  GLU HIS HIS HIS HIS HIS HIS                                  
HET    PO4  A   3       5                                                       
HET    PO4  B   2       5                                                       
HET    PO4  C   4       5                                                       
HET    PO4  D   1       5                                                       
HETNAM     PO4 PHOSPHATE ION                                                    
FORMUL   5  PO4    4(O4 P 3-)                                                   
FORMUL   9  HOH   *116(H2 O)                                                    
HELIX    1   1 THR A   89  GLU A   93  5                                   5    
HELIX    2   2 THR B   89  GLU B   93  5                                   5    
HELIX    3   3 THR C   89  GLU C   93  5                                   5    
HELIX    4   4 THR D   89  GLU D   93  5                                   5    
SHEET    1   A 9 TYR A  63  PRO A  64  0                                        
SHEET    2   A 9 THR A  57  LEU A  60 -1  N  LEU A  60   O  TYR A  63           
SHEET    3   A 9 SER A  47  LEU A  51 -1  N  TRP A  50   O  ILE A  58           
SHEET    4   A 9 GLY A  94  TYR A 101 -1  O  LEU A  99   N  GLN A  49           
SHEET    5   A 9 VAL A 105  LEU A 115 -1  O  VAL A 110   N  TYR A  96           
SHEET    6   A 9 THR A  23  GLU A  29  1  N  GLU A  24   O  LYS A 111           
SHEET    7   A 9 GLN B  72  SER B  77 -1  O  HIS B  76   N  THR A  25           
SHEET    8   A 9 GLN B  80  VAL B  85 -1  O  GLN B  80   N  SER B  77           
SHEET    9   A 9 LEU B  34  VAL B  39 -1  N  LEU B  36   O  ILE B  83           
SHEET    1   B 9 LEU A  34  VAL A  39  0                                        
SHEET    2   B 9 GLN A  80  VAL A  85 -1  O  ILE A  83   N  LEU A  36           
SHEET    3   B 9 GLN A  72  SER A  77 -1  N  HIS A  75   O  SER A  82           
SHEET    4   B 9 THR D  23  GLU D  29 -1  O  THR D  25   N  HIS A  76           
SHEET    5   B 9 VAL D 105  LEU D 115  1  O  LEU D 115   N  VAL D  28           
SHEET    6   B 9 GLY D  94  TYR D 101 -1  N  TYR D  96   O  VAL D 110           
SHEET    7   B 9 SER D  47  LEU D  51 -1  N  LEU D  51   O  LYS D  97           
SHEET    8   B 9 THR D  57  LEU D  60 -1  O  ILE D  58   N  TRP D  50           
SHEET    9   B 9 TYR D  63  PRO D  64 -1  O  TYR D  63   N  LEU D  60           
SHEET    1   C 9 TYR B  63  PRO B  64  0                                        
SHEET    2   C 9 THR B  57  LEU B  60 -1  N  LEU B  60   O  TYR B  63           
SHEET    3   C 9 SER B  47  LEU B  51 -1  N  TRP B  50   O  ILE B  58           
SHEET    4   C 9 GLY B  94  TYR B 101 -1  O  LEU B  99   N  GLN B  49           
SHEET    5   C 9 VAL B 105  LEU B 115 -1  O  VAL B 110   N  TYR B  96           
SHEET    6   C 9 THR B  23  GLU B  29  1  N  VAL B  28   O  LEU B 115           
SHEET    7   C 9 GLN C  72  SER C  77 -1  O  HIS C  76   N  THR B  25           
SHEET    8   C 9 GLN C  80  VAL C  85 -1  O  SER C  82   N  HIS C  75           
SHEET    9   C 9 LEU C  34  VAL C  39 -1  N  LEU C  34   O  VAL C  85           
SHEET    1   D 9 TYR C  63  PRO C  64  0                                        
SHEET    2   D 9 THR C  57  LEU C  60 -1  N  LEU C  60   O  TYR C  63           
SHEET    3   D 9 SER C  47  LEU C  51 -1  N  TRP C  50   O  ILE C  58           
SHEET    4   D 9 GLY C  94  TYR C 101 -1  O  LYS C  97   N  LEU C  51           
SHEET    5   D 9 VAL C 105  LEU C 115 -1  O  VAL C 110   N  TYR C  96           
SHEET    6   D 9 THR C  23  GLU C  29  1  N  VAL C  28   O  LEU C 115           
SHEET    7   D 9 GLN D  72  SER D  77 -1  O  HIS D  76   N  THR C  25           
SHEET    8   D 9 GLN D  80  VAL D  85 -1  O  GLN D  80   N  SER D  77           
SHEET    9   D 9 LEU D  34  VAL D  39 -1  N  LEU D  36   O  ILE D  83           
SSBOND   1 CYS A   38    CYS A   98                          1555   1555  2.08  
SSBOND   2 CYS B   38    CYS B   98                          1555   1555  2.10  
SSBOND   3 CYS C   38    CYS C   98                          1555   1555  2.08  
SSBOND   4 CYS D   38    CYS D   98                          1555   1555  2.09  
SITE     1 AC1  5 THR A  40  SER A  41  HIS A 100  SER A 106                    
SITE     2 AC1  5 LYS A 108                                                     
SITE     1 AC2  5 THR B  40  SER B  41  ARG B  43  HIS B 100                    
SITE     2 AC2  5 SER B 106                                                     
SITE     1 AC3  5 SER C  41  ARG C  43  HIS C 100  SER C 106                    
SITE     2 AC3  5 LYS C 108                                                     
SITE     1 AC4  6 THR D  40  SER D  41  ARG D  43  HIS D 100                    
SITE     2 AC4  6 SER D 106  LYS D 108                                          
CRYST1  116.020  116.291   79.018  90.00  90.00  90.00 C 2 2 21     32          
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      0.008619  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008599  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.012655        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system