GenomeNet

Database: PDB
Entry: 2XZZ
LinkDB: 2XZZ
Original site: 2XZZ 
HEADER    TRANSFERASE                             30-NOV-10   2XZZ              
TITLE     CRYSTAL STRUCTURE OF THE HUMAN TRANSGLUTAMINASE 1 BETA-BARREL DOMAIN  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE K;             
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: BETA BARREL DOMAIN, RESIDUES 693-787;                      
COMPND   5 SYNONYM: EPIDERMAL TGASE, TRANSGLUTAMINASE K, TRANSGLUTAMINASE-1,    
COMPND   6  TG(K), TGK, TGASE K, TGASE-1;                                       
COMPND   7 EC: 2.3.2.13;                                                        
COMPND   8 ENGINEERED: 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;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VARIANT: R3-PRARE2;                                
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PNIC28-BSA4                               
KEYWDS    TRANSFERASE                                                           
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.VOLLMAR,E.KRYSZTOFINSKA,T.KROJER,W.W.YUE,C.COOPER,K.KAVANAGH,       
AUTHOR   2 C.ALLERSTON,A.CHAIKUAD,F.VON DELFT,C.H.ARROWSMITH,J.WEIGELT,         
AUTHOR   3 A.EDWARDS,C.BOUNTRA,U.OPPERMANN                                      
REVDAT   1   26-JAN-11 2XZZ    0                                                
JRNL        AUTH   M.VOLLMAR,E.KRYSZTOFINSKA,T.KROJER,W.W.YUE,C.COOPER,         
JRNL        AUTH 2 K.KAVANAGH,C.ALLERSTON,A.CHAIKUAD,F.VON DELFT,               
JRNL        AUTH 3 C.H.ARROWSMITH,J.WEIGELT,A.EDWARDS,C.BOUNTRA,U.OPPERMANN     
JRNL        TITL   CRYSTAL STRUCTURE OF THE HUMAN TRANSGLUTAMINASE 1            
JRNL        TITL 2 BETA-BARREL DOMAIN                                           
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0110                                      
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) : 19.29                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NONE                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.59                          
REMARK   3   NUMBER OF REFLECTIONS             : 5852                           
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) : 0.22118                         
REMARK   3   R VALUE            (WORKING SET) : 0.21901                         
REMARK   3   FREE R VALUE                     : 0.26688                         
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.7                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 290                             
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) : 2.300                        
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.359                        
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 417                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 100.00                       
REMARK   3   BIN R VALUE           (WORKING SET) : 0.372                        
REMARK   3   BIN FREE R VALUE SET COUNT          : 18                           
REMARK   3   BIN FREE R VALUE                    : 0.452                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 710                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 40                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 54.4                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 42.281                         
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.00                                                 
REMARK   3    B22 (A**2) : 0.00                                                 
REMARK   3    B33 (A**2) : 0.00                                                 
REMARK   3    B12 (A**2) : 0.00                                                 
REMARK   3    B13 (A**2) : 0.00                                                 
REMARK   3    B23 (A**2) : 0.00                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.263         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.224         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.180         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 14.551        
REMARK   3                                                                      
REMARK   3  CORRELATION COEFFICIENTS.                                           
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.949                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.920                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   721 ; 0.016 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):   467 ; 0.004 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):   987 ; 1.829 ; 1.998       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  1161 ; 0.951 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):    98 ; 6.096 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    24 ;37.497 ;25.000       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   117 ;17.202 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     4 ;12.862 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   127 ; 0.099 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   797 ; 0.006 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   123 ; 0.001 ; 0.020       
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):   485 ; 2.002 ; 3.000       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):   196 ; 0.454 ; 3.000       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):   789 ; 3.587 ; 5.000       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   236 ; 5.147 ; 7.000       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   197 ; 7.705 ; 9.000       
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  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    -1        A   754                          
REMARK   3    ORIGIN FOR THE GROUP (A):   8.0477 -24.8644  33.9476              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0567 T22:   0.2395                                     
REMARK   3      T33:   0.2647 T12:  -0.0425                                     
REMARK   3      T13:  -0.0051 T23:   0.0022                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.2713 L22:   8.3270                                     
REMARK   3      L33:   9.6018 L12:  -1.6856                                     
REMARK   3      L13:  -0.7665 L23:   5.2730                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1360 S12:  -0.1866 S13:   0.4929                       
REMARK   3      S21:   0.4824 S22:  -0.2786 S23:   0.3885                       
REMARK   3      S31:  -0.0112 S32:  -0.1802 S33:   0.4146                       
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 :   A   755        A   787                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.2553 -21.8299  29.9423              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1981 T22:   0.2164                                     
REMARK   3      T33:   0.3407 T12:  -0.0835                                     
REMARK   3      T13:   0.0224 T23:   0.0204                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4328 L22:   4.2216                                     
REMARK   3      L33:  13.5927 L12:  -2.0004                                     
REMARK   3      L13:  -2.7192 L23:   5.8661                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0130 S12:  -0.3005 S13:   0.5714                       
REMARK   3      S21:  -0.2660 S22:   0.2028 S23:  -0.0048                       
REMARK   3      S31:  -0.7470 S32:   0.2160 S33:  -0.2158                       
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          
REMARK   3   RIDING POSITIONS. U VALUES WITH TLS ADDED.                         
REMARK   4                                                                      
REMARK   4 2XZZ COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 30-NOV-10.                  
REMARK 100 THE PDBE ID CODE IS EBI-46500.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 28-APR-10                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I04                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.893                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 6155                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.30                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 19.29                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.0                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 10.8                               
REMARK 200  R MERGE                    (I) : 0.07                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 21.00                              
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) : 2.42                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 11.1                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.63                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 4.10                               
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 ENTRUES 1EOX, 1FIE, 1GGY, 1G0D AND 1QRK          
REMARK 200  IN AN ENSEMBLE                                                      
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 57.19                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.87                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.7 M (NH4)2SO4, 1% PEG3350,             
REMARK 280  0.1 M BIS-TRIS (PH 5.5)                                             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 4 3 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   Z,X,Y                                                   
REMARK 290       6555   Z,-X,-Y                                                 
REMARK 290       7555   -Z,-X,Y                                                 
REMARK 290       8555   -Z,X,-Y                                                 
REMARK 290       9555   Y,Z,X                                                   
REMARK 290      10555   -Y,Z,-X                                                 
REMARK 290      11555   Y,-Z,-X                                                 
REMARK 290      12555   -Y,-Z,X                                                 
REMARK 290      13555   Y,X,-Z                                                  
REMARK 290      14555   -Y,-X,-Z                                                
REMARK 290      15555   Y,-X,Z                                                  
REMARK 290      16555   -Y,X,Z                                                  
REMARK 290      17555   X,Z,-Y                                                  
REMARK 290      18555   -X,Z,Y                                                  
REMARK 290      19555   -X,-Z,-Y                                                
REMARK 290      20555   X,-Z,Y                                                  
REMARK 290      21555   Z,Y,-X                                                  
REMARK 290      22555   Z,-Y,X                                                  
REMARK 290      23555   -Z,Y,X                                                  
REMARK 290      24555   -Z,-Y,-X                                                
REMARK 290      25555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290      26555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290      27555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290      28555   X+1/2,-Y+1/2,-Z+1/2                                     
REMARK 290      29555   Z+1/2,X+1/2,Y+1/2                                       
REMARK 290      30555   Z+1/2,-X+1/2,-Y+1/2                                     
REMARK 290      31555   -Z+1/2,-X+1/2,Y+1/2                                     
REMARK 290      32555   -Z+1/2,X+1/2,-Y+1/2                                     
REMARK 290      33555   Y+1/2,Z+1/2,X+1/2                                       
REMARK 290      34555   -Y+1/2,Z+1/2,-X+1/2                                     
REMARK 290      35555   Y+1/2,-Z+1/2,-X+1/2                                     
REMARK 290      36555   -Y+1/2,-Z+1/2,X+1/2                                     
REMARK 290      37555   Y+1/2,X+1/2,-Z+1/2                                      
REMARK 290      38555   -Y+1/2,-X+1/2,-Z+1/2                                    
REMARK 290      39555   Y+1/2,-X+1/2,Z+1/2                                      
REMARK 290      40555   -Y+1/2,X+1/2,Z+1/2                                      
REMARK 290      41555   X+1/2,Z+1/2,-Y+1/2                                      
REMARK 290      42555   -X+1/2,Z+1/2,Y+1/2                                      
REMARK 290      43555   -X+1/2,-Z+1/2,-Y+1/2                                    
REMARK 290      44555   X+1/2,-Z+1/2,Y+1/2                                      
REMARK 290      45555   Z+1/2,Y+1/2,-X+1/2                                      
REMARK 290      46555   Z+1/2,-Y+1/2,X+1/2                                      
REMARK 290      47555   -Z+1/2,Y+1/2,X+1/2                                      
REMARK 290      48555   -Z+1/2,-Y+1/2,-X+1/2                                    
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        0.00000            
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        0.00000            
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  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   9  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  10 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  12  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  12  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  13  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  14  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  14 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  15 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  16  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  16  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  17  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  17  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  18 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  18  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  18  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  19 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  19  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  19  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  20  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  20  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  20  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  21  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  21  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  21 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  22  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  22  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  22  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  23  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  23  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  23  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  24  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  24  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  24 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  25  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  25  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  25  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY1  26 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  26  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  26  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY1  27 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  27  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  27  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY1  28  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  28  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  28  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY1  29  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY2  29  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  29  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  30  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY2  30 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  30  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  31  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY2  31 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  31  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  32  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY2  32  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  32  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  33  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  33  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY3  33  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY1  34  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  34  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY3  34 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY1  35  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  35  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY3  35 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY1  36  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  36  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY3  36  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY1  37  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  37  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  37  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY1  38  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  38 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  38  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY1  39  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  39 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  39  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY1  40  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY2  40  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY3  40  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY1  41  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  41  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY3  41  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  42 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  42  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY3  42  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  43 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  43  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY3  43  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  44  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY2  44  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY3  44  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY1  45  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY2  45  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  45 -1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY1  46  0.000000  0.000000  1.000000       57.87000            
REMARK 290   SMTRY2  46  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  46  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY1  47  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY2  47  0.000000  1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  47  1.000000  0.000000  0.000000       57.87000            
REMARK 290   SMTRY1  48  0.000000  0.000000 -1.000000       57.87000            
REMARK 290   SMTRY2  48  0.000000 -1.000000  0.000000       57.87000            
REMARK 290   SMTRY3  48 -1.000000  0.000000  0.000000       57.87000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: 24-MERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 60210 ANGSTROM**2                         
REMARK 350 SURFACE AREA OF THE COMPLEX: 92370 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -351.2 KCAL/MOL                       
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   BIOMT1   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2   2  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   2  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1   3  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1   4  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   4 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   4  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   5  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   5  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   5  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1   6  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   6  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1   7  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   7  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   8  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1   9  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT2   9  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1  10  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2  10  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT3  10 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  11  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT3  11  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1  12  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2  12  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3  12 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1  13  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2  13  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT3  13  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1  14 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  14  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT3  14  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  15  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  15  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT3  15  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  16 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  16  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3  16  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  17  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT2  17 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3  17  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  18  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  18  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3  18  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  19  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT2  19 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3  19  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT1  20  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2  20  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT3  20  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1  21  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT2  21  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3  21  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT1  22  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2  22  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3  22  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1  23  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT2  23  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT3  23 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1  24  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT2  24  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3  24  0.000000 -1.000000  0.000000        0.00000            
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     SER A    -6                                                      
REMARK 465     MET A    -5                                                      
REMARK 465     TYR A    -4                                                      
REMARK 465     PHE A    -3                                                      
REMARK 465     GLN A    -2                                                      
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     SER A  -1    OG                                                  
REMARK 470     GLN A 705    CG   CD   OE1  NE2                                  
REMARK 470     SER A 731    OG                                                  
REMARK 470     ARG A 735    NE   CZ   NH1  NH2                                  
REMARK 470     LYS A 737    CD   CE   NZ                                        
REMARK 470     GLN A 783    CG   CD   OE1  NE2                                  
REMARK 470     ASP A 785    CG   OD1  OD2                                       
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    LEU A 752   CA  -  CB  -  CG  ANGL. DEV. =  14.9 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    LEU A 698       32.91    -99.59                                   
REMARK 500    LEU A 733      -54.05   -139.19                                   
REMARK 500    GLN A 734      110.16   -161.08                                   
REMARK 500    PRO A 736      108.66    -47.29                                   
REMARK 500    ASP A 743      142.79    -37.76                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 STARTING SER AND MET ARE DUE TO CLONING                              
DBREF  2XZZ A  693   787  UNP    P22735   TGM1_HUMAN     693    787             
SEQADV 2XZZ SER A   -6  UNP  P22735              EXPRESSION TAG                 
SEQADV 2XZZ MET A   -5  UNP  P22735              EXPRESSION TAG                 
SEQADV 2XZZ TYR A   -4  UNP  P22735              EXPRESSION TAG                 
SEQADV 2XZZ PHE A   -3  UNP  P22735              EXPRESSION TAG                 
SEQADV 2XZZ GLN A   -2  UNP  P22735              EXPRESSION TAG                 
SEQADV 2XZZ SER A   -1  UNP  P22735              EXPRESSION TAG                 
SEQADV 2XZZ MET A    0  UNP  P22735              EXPRESSION TAG                 
SEQRES   1 A  102  SER MET TYR PHE GLN SER MET LEU SER LEU THR LEU LEU          
SEQRES   2 A  102  GLY ALA ALA VAL VAL GLY GLN GLU CYS GLU VAL GLN ILE          
SEQRES   3 A  102  VAL PHE LYS ASN PRO LEU PRO VAL THR LEU THR ASN VAL          
SEQRES   4 A  102  VAL PHE ARG LEU GLU GLY SER GLY LEU GLN ARG PRO LYS          
SEQRES   5 A  102  ILE LEU ASN VAL GLY ASP ILE GLY GLY ASN GLU THR VAL          
SEQRES   6 A  102  THR LEU ARG GLN SER PHE VAL PRO VAL ARG PRO GLY PRO          
SEQRES   7 A  102  ARG GLN LEU ILE ALA SER LEU ASP SER PRO GLN LEU SER          
SEQRES   8 A  102  GLN VAL HIS GLY VAL ILE GLN VAL ASP VAL ALA                  
FORMUL   2  HOH   *40(H2 O)                                                     
HELIX    1   1 SER A  772  GLN A  777  5                                   6    
SHEET    1  AA 3 MET A   0  LEU A 697  0                                        
SHEET    2  AA 3 CYS A 707  LYS A 714 -1  O  GLN A 710   N  THR A 696           
SHEET    3  AA 3 THR A 749  PHE A 756 -1  O  VAL A 750   N  PHE A 713           
SHEET    1  AB 3 GLN A 734  VAL A 741  0                                        
SHEET    2  AB 3 VAL A 724  GLY A 730 -1  O  VAL A 724   N  VAL A 741           
SHEET    3  AB 3 ILE A 767  ASP A 771 -1  O  ILE A 767   N  GLU A 729           
CRYST1  115.740  115.740  115.740  90.00  90.00  90.00 I 4 3 2      48          
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      0.008640  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008640  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008640        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system