GenomeNet

Database: PDB
Entry: 6JJY
LinkDB: 6JJY
Original site: 6JJY 
HEADER    SIGNALING PROTEIN                       27-FEB-19   6JJY              
TITLE     CRYSTAL STRUCTURE OF KIBRA AND BETA-DYSTROGLYCAN                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN KIBRA;                                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: KIDNEY AND BRAIN PROTEIN,KIBRA,WW DOMAIN-CONTAINING PROTEIN 
COMPND   5 1;                                                                   
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: PEPTIDE FROM DYSTROGLYCAN;                                 
COMPND   9 CHAIN: U;                                                            
COMPND  10 SYNONYM: DYSTROPHIN-ASSOCIATED GLYCOPROTEIN 1;                       
COMPND  11 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: WWC1, KIAA0869;                                                
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: DAG1;                                                          
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    WW TANDEM, PY TANDEM, KIBRA, PTPN14, SIGNALING PROTEIN                
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Z.LIN,Z.YANG,Z.JI,M.ZHANG                                             
REVDAT   1   25-SEP-19 6JJY    0                                                
JRNL        AUTH   Z.LIN,Z.YANG,R.XIE,Z.JI,K.GUAN,M.ZHANG                       
JRNL        TITL   DECODING WW DOMAIN TANDEM-MEDIATED TARGET RECOGNITIONS IN    
JRNL        TITL 2 TISSUE GROWTH AND CELL POLARITY.                             
JRNL        REF    ELIFE                         V.   8       2019              
JRNL        REFN                   ESSN 2050-084X                               
JRNL        PMID   31486770                                                     
JRNL        DOI    10.7554/ELIFE.49439                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.9_1692                                      
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) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.57                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.000                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 94.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 14386                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.210                           
REMARK   3   R VALUE            (WORKING SET) : 0.206                           
REMARK   3   FREE R VALUE                     : 0.253                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1439                            
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 40.5776 -  4.9473    0.98     1444   159  0.1683 0.2153        
REMARK   3     2  4.9473 -  3.9278    0.99     1387   153  0.1590 0.1974        
REMARK   3     3  3.9278 -  3.4316    0.99     1357   153  0.1814 0.2171        
REMARK   3     4  3.4316 -  3.1180    0.99     1342   149  0.2201 0.3239        
REMARK   3     5  3.1180 -  2.8946    0.98     1344   150  0.2487 0.2904        
REMARK   3     6  2.8946 -  2.7240    0.96     1284   140  0.2665 0.3117        
REMARK   3     7  2.7240 -  2.5876    0.93     1268   133  0.2482 0.2902        
REMARK   3     8  2.5876 -  2.4750    0.91     1215   136  0.2448 0.2547        
REMARK   3     9  2.4750 -  2.3797    0.88     1164   135  0.2528 0.2993        
REMARK   3    10  2.3797 -  2.2976    0.86     1142   131  0.2772 0.3489        
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)     : 0.290            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 25.480           
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      :  0.009           1249                                  
REMARK   3   ANGLE     :  1.101           1711                                  
REMARK   3   CHIRALITY :  0.040            174                                  
REMARK   3   PLANARITY :  0.006            229                                  
REMARK   3   DIHEDRAL  : 15.926            467                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: ALL                                                    
REMARK   3    ORIGIN FOR THE GROUP (A): -94.2259  65.4788 127.1158              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3127 T22:   0.2697                                     
REMARK   3      T33:   0.3133 T12:   0.0122                                     
REMARK   3      T13:   0.0522 T23:   0.0342                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7193 L22:  -0.0379                                     
REMARK   3      L33:   2.6504 L12:   0.5142                                     
REMARK   3      L13:  -1.4105 L23:  -0.6824                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1048 S12:  -0.0338 S13:   0.0505                       
REMARK   3      S21:   0.1623 S22:   0.0939 S23:   0.0559                       
REMARK   3      S31:   0.1397 S32:  -0.1175 S33:   0.0396                       
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 6JJY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-MAR-19.                  
REMARK 100 THE DEPOSITION ID IS D_1300011248.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 19-MAY-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL19U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9791                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M                 
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-3000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-3000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 15114                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.7                               
REMARK 200  DATA REDUNDANCY                : 10.50                              
REMARK 200  R MERGE                    (I) : 0.05600                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 40.0000                            
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) : 2.34                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 10.70                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.88600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 2.700                              
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: 6J68                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 72.53                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.48                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 3.0-4.0M NACL, 100MM BIS-TRIS (PH        
REMARK 280  6.5), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K               
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 3 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                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z                                               
REMARK 290       6555   -X,-X+Y,-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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   4 -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        0.00000            
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        0.00000            
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 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1450 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 11170 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -9.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, U                                  
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375 S    SO4 A 201  LIES ON A SPECIAL POSITION.                          
REMARK 375 O3   SO4 A 201  LIES ON A SPECIAL POSITION.                          
REMARK 375 S    SO4 U 901  LIES ON A SPECIAL POSITION.                          
REMARK 375 O1   SO4 U 901  LIES ON A SPECIAL POSITION.                          
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     GLY A    -1                                                      
REMARK 465     PRO A     0                                                      
REMARK 465     GLY A     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     GLU A     3                                                      
REMARK 465     HIS A   132                                                      
REMARK 465     GLY U   875                                                      
REMARK 465     PRO U   876                                                      
REMARK 465     GLY U   877                                                      
REMARK 465     SER U   878                                                      
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     PHE A   4    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLU A   5    CG   CD   OE1  OE2                                  
REMARK 470     ARG A  28    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG A  40    CD   NE   CZ   NH1  NH2                             
REMARK 470     ARG A  89    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 111    CG   CD   CE   NZ                                   
REMARK 470     ARG U 879    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS U 881    CG   CD   CE   NZ                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 U 901                 
DBREF  6JJY A    5   132  UNP    Q5SXA9   KIBRA_MOUSE      5    132             
DBREF  6JJY U  877   895  UNP    Q14118   DAG1_HUMAN     877    895             
SEQADV 6JJY GLY A   -1  UNP  Q5SXA9              EXPRESSION TAG                 
SEQADV 6JJY PRO A    0  UNP  Q5SXA9              EXPRESSION TAG                 
SEQADV 6JJY GLY A    1  UNP  Q5SXA9              EXPRESSION TAG                 
SEQADV 6JJY SER A    2  UNP  Q5SXA9              EXPRESSION TAG                 
SEQADV 6JJY GLU A    3  UNP  Q5SXA9              EXPRESSION TAG                 
SEQADV 6JJY PHE A    4  UNP  Q5SXA9              EXPRESSION TAG                 
SEQADV 6JJY GLY U  875  UNP  Q14118              EXPRESSION TAG                 
SEQADV 6JJY PRO U  876  UNP  Q14118              EXPRESSION TAG                 
SEQRES   1 A  134  GLY PRO GLY SER GLU PHE GLU LEU PRO LEU PRO GLU GLY          
SEQRES   2 A  134  TRP GLU GLU ALA ARG ASP PHE ASP GLY LYS VAL TYR TYR          
SEQRES   3 A  134  ILE ASP HIS ARG ASN ARG THR THR SER TRP ILE ASP PRO          
SEQRES   4 A  134  ARG ASP ARG TYR THR LYS PRO LEU THR PHE ALA ASP CYS          
SEQRES   5 A  134  ILE SER ASP GLU LEU PRO LEU GLY TRP GLU GLU ALA TYR          
SEQRES   6 A  134  ASP PRO GLN VAL GLY ASP TYR PHE ILE ASP HIS ASN THR          
SEQRES   7 A  134  LYS THR THR GLN ILE GLU ASP PRO ARG VAL GLN TRP ARG          
SEQRES   8 A  134  ARG GLU GLN GLU HIS MET LEU LYS ASP TYR LEU VAL VAL          
SEQRES   9 A  134  ALA GLN GLU ALA LEU SER ALA GLN LYS GLU ILE TYR GLN          
SEQRES  10 A  134  VAL LYS GLN GLN ARG LEU GLU LEU ALA GLN GLN GLU TYR          
SEQRES  11 A  134  GLN GLN LEU HIS                                              
SEQRES   1 U   21  GLY PRO GLY SER ARG PRO LYS ASN MET THR PRO TYR ARG          
SEQRES   2 U   21  SER PRO PRO PRO TYR VAL PRO PRO                              
HET    SO4  A 201       5                                                       
HET    SO4  U 901       5                                                       
HETNAM     SO4 SULFATE ION                                                      
FORMUL   3  SO4    2(O4 S 2-)                                                   
FORMUL   5  HOH   *75(H2 O)                                                     
HELIX    1 AA1 ARG A   38  THR A   42  5                                   5    
HELIX    2 AA2 THR A   46  CYS A   50  5                                   5    
HELIX    3 AA3 ASP A   83  GLN A  129  1                                  47    
SHEET    1 AA1 3 TRP A  12  ARG A  16  0                                        
SHEET    2 AA1 3 VAL A  22  ASP A  26 -1  O  ILE A  25   N  GLU A  13           
SHEET    3 AA1 3 THR A  31  SER A  33 -1  O  SER A  33   N  TYR A  24           
SHEET    1 AA2 3 TRP A  59  ASP A  64  0                                        
SHEET    2 AA2 3 GLY A  68  ASP A  73 -1  O  GLY A  68   N  ASP A  64           
SHEET    3 AA2 3 THR A  78  GLN A  80 -1  O  THR A  78   N  ASP A  73           
CISPEP   1 ILE A   51    SER A   52          0        -2.30                     
SITE     1 AC1  3 PRO U 891  TYR U 892  VAL U 893                               
CRYST1   73.483   73.483  105.322  90.00  90.00 120.00 P 3 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      0.013609  0.007857  0.000000        0.00000                         
SCALE2      0.000000  0.015714  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.009495        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system