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Database: PDB
Entry: 4Y2G
LinkDB: 4Y2G
Original site: 4Y2G 
HEADER    ANTITUMOR PROTEIN                       09-FEB-15   4Y2G              
TITLE     STRUCTURE OF BRCA1 BRCT DOMAINS IN COMPLEX WITH ABRAXAS SINGLE        
TITLE    2 PHOSPHORYLATED PEPTIDE                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BREAST CANCER TYPE 1 SUSCEPTIBILITY PROTEIN;               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 1646-1859;                                    
COMPND   5 SYNONYM: RING FINGER PROTEIN 53;                                     
COMPND   6 EC: 6.3.2.-;                                                         
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: BRCA1-A COMPLEX SUBUNIT ABRAXAS;                           
COMPND  10 CHAIN: B;                                                            
COMPND  11 FRAGMENT: UNP RESIDUES 403-409;                                      
COMPND  12 SYNONYM: COILED-COIL DOMAIN-CONTAINING PROTEIN 98,PROTEIN FAM175A;   
COMPND  13 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: BRCA1, RNF53;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606                                                 
KEYWDS    DNA DAMAGE RESPONSE, BRCT, PHOSPHOPEPTIDE, LIGASE-PEPTIDE COMPLEX,    
KEYWDS   2 ANTITUMOR PROTEIN                                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Q.WU,T.L.BLUNDELL                                                     
REVDAT   2   17-FEB-16 4Y2G    1       JRNL                                     
REVDAT   1   27-JAN-16 4Y2G    0                                                
JRNL        AUTH   Q.WU,A.PAUL,D.SU,S.MEHMOOD,T.K.FOO,T.OCHI,E.L.BUNTING,B.XIA, 
JRNL        AUTH 2 C.V.ROBINSON,B.WANG,T.L.BLUNDELL                             
JRNL        TITL   STRUCTURE OF BRCA1-BRCT/ABRAXAS COMPLEX REVEALS              
JRNL        TITL 2 PHOSPHORYLATION-DEPENDENT BRCT DIMERIZATION AT DNA DAMAGE    
JRNL        TITL 3 SITES.                                                       
JRNL        REF    MOL.CELL                      V.  61   434 2016              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   26778126                                                     
JRNL        DOI    10.1016/J.MOLCEL.2015.12.017                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.8.4_1496)                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 47.58                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 7998                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.219                           
REMARK   3   R VALUE            (WORKING SET) : 0.215                           
REMARK   3   FREE R VALUE                     : 0.252                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.950                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 796                             
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 47.5847 -  4.5419    1.00     1273   142  0.1641 0.2220        
REMARK   3     2  4.5419 -  3.6054    1.00     1212   135  0.2046 0.2194        
REMARK   3     3  3.6054 -  3.1498    1.00     1185   133  0.2452 0.2700        
REMARK   3     4  3.1498 -  2.8618    1.00     1191   129  0.3156 0.3267        
REMARK   3     5  2.8618 -  2.6567    1.00     1179   128  0.2913 0.3369        
REMARK   3     6  2.6567 -  2.5001    1.00     1162   129  0.3562 0.3740        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.310            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.430           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.007           1763                                  
REMARK   3   ANGLE     :  0.823           2401                                  
REMARK   3   CHIRALITY :  0.044            273                                  
REMARK   3   PLANARITY :  0.004            304                                  
REMARK   3   DIHEDRAL  : 13.038            622                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4Y2G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-FEB-15.                  
REMARK 100 THE DEPOSITION ID IS D_1000206743.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 28-JUN-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I03                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.979                              
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : PSI PILATUS 6M                     
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 8000                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 47.600                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 9.300                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.05100                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 24.0000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 9.40                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.49800                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 5.100                              
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: IT15                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 40.14                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: LITHIUM CHLORIDE, TRIS, PEG 6000, PH     
REMARK 280  8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+1/3                                           
REMARK 290       6555   -X,-X+Y,-Z+2/3                                          
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       62.24467            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       31.12233            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  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        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       31.12233            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       62.24467            
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: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 760 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 11180 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 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  1636                                                      
REMARK 465     SER A  1637                                                      
REMARK 465     HIS A  1638                                                      
REMARK 465     HIS A  1639                                                      
REMARK 465     HIS A  1640                                                      
REMARK 465     HIS A  1641                                                      
REMARK 465     HIS A  1642                                                      
REMARK 465     HIS A  1643                                                      
REMARK 465     SER A  1644                                                      
REMARK 465     MET A  1645                                                      
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     VAL A1646    CG1  CG2                                            
REMARK 470     ASN A1647    CG   OD1  ND2                                       
REMARK 470     LYS A1648    CG   CD   CE   NZ                                   
REMARK 470     MET A1663    CG   SD   CE                                        
REMARK 470     LYS A1667    CG   CD   CE   NZ                                   
REMARK 470     GLU A1682    CG   CD   OE1  OE2                                  
REMARK 470     LYS A1724    CG   CD   CE   NZ                                   
REMARK 470     ARG A1726    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU A1794    CG   CD   OE1  OE2                                  
REMARK 470     GLU A1817    CG   CD   OE1  OE2                                  
REMARK 470     ASP A1818    CG   OD1  OD2                                       
REMARK 470     ASN A1819    CG   OD1  ND2                                       
REMARK 470     GLN A1826    CG   CD   OE1  NE2                                  
REMARK 470     GLU A1829    CG   CD   OE1  OE2                                  
REMARK 470     GLN A1846    CG   CD   OE1  NE2                                  
REMARK 470     TYR B 403    CG   CD1  CD2  CE1  CE2  CZ   OH                    
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 A1745       36.09   -153.11                                   
REMARK 500    ASN A1774       -3.13     66.00                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  4Y2G A 1646  1859  UNP    P38398   BRCA1_HUMAN   1646   1859             
DBREF  4Y2G B  403   409  UNP    Q6UWZ7   F175A_HUMAN    403    409             
SEQADV 4Y2G MET A 1636  UNP  P38398              INITIATING METHIONINE          
SEQADV 4Y2G SER A 1637  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G HIS A 1638  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G HIS A 1639  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G HIS A 1640  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G HIS A 1641  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G HIS A 1642  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G HIS A 1643  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G SER A 1644  UNP  P38398              EXPRESSION TAG                 
SEQADV 4Y2G MET A 1645  UNP  P38398              EXPRESSION TAG                 
SEQRES   1 A  224  MET SER HIS HIS HIS HIS HIS HIS SER MET VAL ASN LYS          
SEQRES   2 A  224  ARG MET SER MET VAL VAL SER GLY LEU THR PRO GLU GLU          
SEQRES   3 A  224  PHE MET LEU VAL TYR LYS PHE ALA ARG LYS HIS HIS ILE          
SEQRES   4 A  224  THR LEU THR ASN LEU ILE THR GLU GLU THR THR HIS VAL          
SEQRES   5 A  224  VAL MET LYS THR ASP ALA GLU PHE VAL CYS GLU ARG THR          
SEQRES   6 A  224  LEU LYS TYR PHE LEU GLY ILE ALA GLY GLY LYS TRP VAL          
SEQRES   7 A  224  VAL SER TYR PHE TRP VAL THR GLN SER ILE LYS GLU ARG          
SEQRES   8 A  224  LYS MET LEU ASN GLU HIS ASP PHE GLU VAL ARG GLY ASP          
SEQRES   9 A  224  VAL VAL ASN GLY ARG ASN HIS GLN GLY PRO LYS ARG ALA          
SEQRES  10 A  224  ARG GLU SER GLN ASP ARG LYS ILE PHE ARG GLY LEU GLU          
SEQRES  11 A  224  ILE CYS CYS TYR GLY PRO PHE THR ASN MET PRO THR ASP          
SEQRES  12 A  224  GLN LEU GLU TRP MET VAL GLN LEU CYS GLY ALA SER VAL          
SEQRES  13 A  224  VAL LYS GLU LEU SER SER PHE THR LEU GLY THR GLY VAL          
SEQRES  14 A  224  HIS PRO ILE VAL VAL VAL GLN PRO ASP ALA TRP THR GLU          
SEQRES  15 A  224  ASP ASN GLY PHE HIS ALA ILE GLY GLN MET CYS GLU ALA          
SEQRES  16 A  224  PRO VAL VAL THR ARG GLU TRP VAL LEU ASP SER VAL ALA          
SEQRES  17 A  224  LEU TYR GLN CYS GLN GLU LEU ASP THR TYR LEU ILE PRO          
SEQRES  18 A  224  GLN ILE PRO                                                  
SEQRES   1 B    7  TYR SER ARG SEP PRO THR PHE                                  
MODRES 4Y2G SEP B  406  SER  MODIFIED RESIDUE                                   
HET    SEP  B 406      10                                                       
HETNAM     SEP PHOSPHOSERINE                                                    
HETSYN     SEP PHOSPHONOSERINE                                                  
FORMUL   2  SEP    C3 H8 N O6 P                                                 
FORMUL   3  HOH   *3(H2 O)                                                      
HELIX    1 AA1 THR A 1658  HIS A 1673  1                                  16    
HELIX    2 AA2 LEU A 1701  GLY A 1709  1                                   9    
HELIX    3 AA3 TYR A 1716  GLU A 1725  1                                  10    
HELIX    4 AA4 ASN A 1730  GLU A 1735  5                                   6    
HELIX    5 AA5 GLN A 1747  SER A 1755  1                                   9    
HELIX    6 AA6 PRO A 1776  CYS A 1787  1                                  12    
HELIX    7 AA7 GLU A 1794  PHE A 1798  5                                   5    
HELIX    8 AA8 GLN A 1811  TRP A 1815  5                                   5    
HELIX    9 AA9 ASN A 1819  MET A 1827  5                                   9    
HELIX   10 AB1 ARG A 1835  TYR A 1845  1                                  11    
HELIX   11 AB2 GLU A 1849  LEU A 1854  5                                   6    
SHEET    1 AA1 4 THR A1675  LEU A1676  0                                        
SHEET    2 AA1 4 SER A1651  SER A1655  1  N  MET A1652   O  THR A1675           
SHEET    3 AA1 4 HIS A1686  MET A1689  1  O  VAL A1688   N  VAL A1653           
SHEET    4 AA1 4 TRP A1712  SER A1715  1  O  TRP A1712   N  VAL A1687           
SHEET    1 AA2 2 VAL A1696  CYS A1697  0                                        
SHEET    2 AA2 2 GLY A1738  ASP A1739  1  O  GLY A1738   N  CYS A1697           
SHEET    1 AA3 2 ARG A1699  THR A1700  0                                        
SHEET    2 AA3 2 THR B 408  PHE B 409 -1  O  PHE B 409   N  ARG A1699           
SHEET    1 AA4 4 SER A1790  VAL A1791  0                                        
SHEET    2 AA4 4 LEU A1764  CYS A1768  1  N  LEU A1764   O  SER A1790           
SHEET    3 AA4 4 HIS A1805  VAL A1810  1  O  VAL A1809   N  CYS A1767           
SHEET    4 AA4 4 VAL A1832  THR A1834  1  O  VAL A1833   N  VAL A1808           
LINK         C   ARG B 405                 N   SEP B 406     1555   1555  1.33  
LINK         C   SEP B 406                 N   PRO B 407     1555   1555  1.32  
CISPEP   1 GLY A 1770    PRO A 1771          0         4.41                     
CRYST1   63.847   63.847   93.367  90.00  90.00 120.00 P 32 2 1      6          
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      0.015662  0.009043  0.000000        0.00000                         
SCALE2      0.000000  0.018085  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010710        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system