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Database: PDB
Entry: 6J1X
LinkDB: 6J1X
Original site: 6J1X 
HEADER    LIGASE                                  30-DEC-18   6J1X              
TITLE     WWP1 CLOSE CONFORMATION                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NEDD4-LIKE E3 UBIQUITIN-PROTEIN LIGASE WWP1;               
COMPND   3 CHAIN: B;                                                            
COMPND   4 SYNONYM: ATROPHIN-1-INTERACTING PROTEIN 5,AIP5,HECT-TYPE E3 UBIQUITIN
COMPND   5 TRANSFERASE WWP1,TGIF-INTERACTING UBIQUITIN LIGASE 1,TIUL1,WW DOMAIN-
COMPND   6 CONTAINING PROTEIN 1;                                                
COMPND   7 EC: 2.3.2.26;                                                        
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 GENE: WWP1;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI-PICHIA PASTORIS SHUTTLE VECTOR   
SOURCE   7 PPPARG4;                                                             
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 1182032                                     
KEYWDS    E3 LIGASE, CLOSE CONFORMATION, AUTOINHIBITION, LIGASE                 
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Z.H.LIU                                                               
REVDAT   2   07-AUG-19 6J1X    1       JRNL                                     
REVDAT   1   24-JUL-19 6J1X    0                                                
JRNL        AUTH   Z.WANG,Z.LIU,X.CHEN,J.LI,W.YAO,S.HUANG,A.GU,Q.Y.LEI,Y.MAO,   
JRNL        AUTH 2 W.WEN                                                        
JRNL        TITL   A MULTI-LOCK INHIBITORY MECHANISM FOR FINE-TUNING ENZYME     
JRNL        TITL 2 ACTIVITIES OF THE HECT FAMILY E3 LIGASES.                    
JRNL        REF    NAT COMMUN                    V.  10  3162 2019              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   31320636                                                     
JRNL        DOI    10.1038/S41467-019-11224-7                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX 1.11.1_2575                                   
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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 35.81                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 97.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 26023                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.222                           
REMARK   3   R VALUE            (WORKING SET) : 0.220                           
REMARK   3   FREE R VALUE                     : 0.271                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.130                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1335                            
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 35.8098 -  4.9513    0.96     2536   129  0.2221 0.2628        
REMARK   3     2  4.9513 -  3.9316    0.96     2461   122  0.1905 0.2546        
REMARK   3     3  3.9316 -  3.4351    0.99     2518   108  0.2105 0.2481        
REMARK   3     4  3.4351 -  3.1212    0.99     2466   150  0.2316 0.2755        
REMARK   3     5  3.1212 -  2.8976    0.99     2473   148  0.2343 0.2889        
REMARK   3     6  2.8976 -  2.7268    0.95     2380   147  0.2325 0.2759        
REMARK   3     7  2.7268 -  2.5903    0.99     2458   140  0.2334 0.2776        
REMARK   3     8  2.5903 -  2.4776    0.99     2479   123  0.2450 0.3093        
REMARK   3     9  2.4776 -  2.3822    0.99     2451   135  0.2338 0.3050        
REMARK   3    10  2.3822 -  2.3000    0.99     2466   133  0.2246 0.2778        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
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)     : 0.300            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.040           
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           3753                                  
REMARK   3   ANGLE     :  0.830           5081                                  
REMARK   3   CHIRALITY :  0.049            532                                  
REMARK   3   PLANARITY :  0.006            656                                  
REMARK   3   DIHEDRAL  : 13.772           2183                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 2                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 381 THROUGH 669 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): 140.5409 -58.4581  33.1374              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4017 T22:   0.2041                                     
REMARK   3      T33:   0.2331 T12:  -0.0924                                     
REMARK   3      T13:  -0.0830 T23:   0.0090                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.3228 L22:   0.1448                                     
REMARK   3      L33:   1.8603 L12:  -0.2760                                     
REMARK   3      L13:  -1.6068 L23:   0.0011                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0581 S12:  -0.1556 S13:   0.0092                       
REMARK   3      S21:   0.1106 S22:  -0.1060 S23:  -0.0408                       
REMARK   3      S31:  -0.0995 S32:   0.1467 S33:   0.0191                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 670 THROUGH 916 )                 
REMARK   3    ORIGIN FOR THE GROUP (A): 123.7548 -51.4128  21.2894              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3698 T22:   0.2315                                     
REMARK   3      T33:   0.2060 T12:  -0.0632                                     
REMARK   3      T13:  -0.0062 T23:  -0.0055                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.1618 L22:   1.4456                                     
REMARK   3      L33:   0.4015 L12:  -0.4127                                     
REMARK   3      L13:   0.0476 L23:   0.5478                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0048 S12:   0.1268 S13:   0.0222                       
REMARK   3      S21:   0.0351 S22:  -0.0638 S23:   0.0609                       
REMARK   3      S31:  -0.2266 S32:  -0.0006 S33:   0.0565                       
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 6J1X COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-JAN-19.                  
REMARK 100 THE DEPOSITION ID IS D_1300010331.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 07-APR-18                          
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               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9792                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 26023                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.250                              
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     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY                : 3.500                              
REMARK 200  R MERGE                    (I) : 0.07000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 16.3000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.29                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 97.7                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.36000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 3.000                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX                                                
REMARK 200 STARTING MODEL: 5XMC                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 46.68                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.31                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 100MM TRIS-HCL PH 7.0, 15% V/V REAGENT   
REMARK 280  ALCOHOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289.15K         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000       22.72200            
REMARK 290   SMTRY3   2  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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 520 ANGSTROM**2                           
REMARK 350 SURFACE AREA OF THE COMPLEX: 22740 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -2.0 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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 B   373                                                      
REMARK 465     PRO B   374                                                      
REMARK 465     GLY B   375                                                      
REMARK 465     SER B   376                                                      
REMARK 465     GLU B   377                                                      
REMARK 465     PHE B   378                                                      
REMARK 465     ARG B   379                                                      
REMARK 465     PRO B   380                                                      
REMARK 465     ASN B   428                                                      
REMARK 465     GLN B   429                                                      
REMARK 465     LEU B   430                                                      
REMARK 465     GLN B   431                                                      
REMARK 465     MET B   447                                                      
REMARK 465     LEU B   448                                                      
REMARK 465     ALA B   449                                                      
REMARK 465     ALA B   450                                                      
REMARK 465     GLU B   451                                                      
REMARK 465     ASN B   452                                                      
REMARK 465     ASP B   453                                                      
REMARK 465     PRO B   454                                                      
REMARK 465     TYR B   455                                                      
REMARK 465     GLY B   456                                                      
REMARK 465     PRO B   457                                                      
REMARK 465     LEU B   458                                                      
REMARK 465     PRO B   459                                                      
REMARK 465     PRO B   460                                                      
REMARK 465     GLY B   461                                                      
REMARK 465     TRP B   462                                                      
REMARK 465     GLU B   463                                                      
REMARK 465     LYS B   464                                                      
REMARK 465     ARG B   465                                                      
REMARK 465     VAL B   466                                                      
REMARK 465     ASP B   467                                                      
REMARK 465     SER B   468                                                      
REMARK 465     THR B   469                                                      
REMARK 465     ASP B   470                                                      
REMARK 465     ARG B   471                                                      
REMARK 465     VAL B   472                                                      
REMARK 465     TYR B   473                                                      
REMARK 465     PHE B   474                                                      
REMARK 465     VAL B   475                                                      
REMARK 465     ASN B   476                                                      
REMARK 465     HIS B   477                                                      
REMARK 465     ASN B   478                                                      
REMARK 465     THR B   479                                                      
REMARK 465     LYS B   480                                                      
REMARK 465     THR B   481                                                      
REMARK 465     THR B   482                                                      
REMARK 465     GLN B   483                                                      
REMARK 465     TRP B   484                                                      
REMARK 465     GLU B   485                                                      
REMARK 465     ASP B   486                                                      
REMARK 465     PRO B   487                                                      
REMARK 465     ARG B   488                                                      
REMARK 465     THR B   489                                                      
REMARK 465     GLN B   490                                                      
REMARK 465     GLY B   491                                                      
REMARK 465     LEU B   492                                                      
REMARK 465     GLN B   493                                                      
REMARK 465     ASN B   494                                                      
REMARK 465     GLU B   495                                                      
REMARK 465     VAL B   534                                                      
REMARK 465     THR B   535                                                      
REMARK 465     LYS B   536                                                      
REMARK 465     GLY B   537                                                      
REMARK 465     GLY B   538                                                      
REMARK 465     GLU B   604                                                      
REMARK 465     GLY B   605                                                      
REMARK 465     LEU B   606                                                      
REMARK 465     ASP B   607                                                      
REMARK 465     TYR B   608                                                      
REMARK 465     GLU B   917                                                      
REMARK 465     GLY B   918                                                      
REMARK 465     PHE B   919                                                      
REMARK 465     GLY B   920                                                      
REMARK 465     GLN B   921                                                      
REMARK 465     GLU B   922                                                      
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     GLN B 381    CG   CD   OE1  NE2                                  
REMARK 470     ARG B 389    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 390    NH1  NH2                                            
REMARK 470     VAL B 391    CG1  CG2                                            
REMARK 470     ASP B 393    OD1  OD2                                            
REMARK 470     ARG B 394    CZ   NH1  NH2                                       
REMARK 470     ARG B 395    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     VAL B 397    CG1  CG2                                            
REMARK 470     HIS B 402    CG   ND1  CD2  CE1  NE2                             
REMARK 470     THR B 404    CG2                                                 
REMARK 470     ARG B 405    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     THR B 406    OG1  CG2                                            
REMARK 470     GLU B 415    OE1  OE2                                            
REMARK 470     GLU B 421    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 422    CG   CD   OE1  NE2                                  
REMARK 470     GLN B 424    CD   OE1  NE2                                       
REMARK 470     SER B 425    OG                                                  
REMARK 470     GLN B 426    CG   CD   OE1  NE2                                  
REMARK 470     ARG B 427    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     MET B 434    CE                                                  
REMARK 470     GLN B 435    CG   CD   OE1  NE2                                  
REMARK 470     GLN B 436    CG   CD   OE1  NE2                                  
REMARK 470     ASN B 438    OD1                                                 
REMARK 470     GLN B 439    CG   CD   OE1  NE2                                  
REMARK 470     LEU B 442    CG   CD1  CD2                                       
REMARK 470     TYR B 443    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470     SER B 444    OG                                                  
REMARK 470     SER B 446    OG                                                  
REMARK 470     GLU B 496    CB   CG   CD   OE1  OE2                             
REMARK 470     PRO B 497    CG   CD                                             
REMARK 470     LEU B 498    CG   CD1  CD2                                       
REMARK 470     GLU B 500    CG   CD   OE1  OE2                                  
REMARK 470     ILE B 504    CD1                                                 
REMARK 470     THR B 507    CG2                                                 
REMARK 470     ARG B 508    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 512    CZ   NH1  NH2                                       
REMARK 470     THR B 519    CG2                                                 
REMARK 470     ARG B 520    NH2                                                 
REMARK 470     THR B 521    CG2                                                 
REMARK 470     THR B 523    CG2                                                 
REMARK 470     LYS B 525    CG   CD   CE   NZ                                   
REMARK 470     LYS B 531    CD   CE   NZ                                        
REMARK 470     SER B 532    OG                                                  
REMARK 470     SER B 533    OG                                                  
REMARK 470     GLN B 540    CD   OE1  NE2                                       
REMARK 470     ILE B 541    CD1                                                 
REMARK 470     ARG B 548    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     TYR B 556    CD1  CD2  CE1  CE2  CZ   OH                         
REMARK 470     LEU B 557    CD1  CD2                                            
REMARK 470     GLN B 559    CG   CD   OE1  NE2                                  
REMARK 470     LEU B 563    CD1  CD2                                            
REMARK 470     LYS B 568    CG   CD   CE   NZ                                   
REMARK 470     ILE B 569    CD1                                                 
REMARK 470     SER B 572    OG                                                  
REMARK 470     GLN B 574    CG   CD   OE1  NE2                                  
REMARK 470     THR B 575    OG1  CG2                                            
REMARK 470     GLU B 578    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 583    O                                                   
REMARK 470     LEU B 587    CD2                                                 
REMARK 470     LYS B 588    CE   NZ                                             
REMARK 470     ARG B 595    CZ   NH1  NH2                                       
REMARK 470     LEU B 596    CD1  CD2                                            
REMARK 470     ILE B 599    CG2  CD1                                            
REMARK 470     LEU B 611    CG   CD1  CD2                                       
REMARK 470     ARG B 613    NH1  NH2                                            
REMARK 470     LEU B 618    CD2                                                 
REMARK 470     TYR B 628    OH                                                  
REMARK 470     LYS B 636    CG   CD   CE   NZ                                   
REMARK 470     ASN B 637    CG   OD1  ND2                                       
REMARK 470     ASN B 638    CG   OD1  ND2                                       
REMARK 470     TYR B 639    CD2  CE2                                            
REMARK 470     ILE B 649    CD1                                                 
REMARK 470     SER B 655    OG                                                  
REMARK 470     THR B 676    CG2                                                 
REMARK 470     LYS B 689    CE   NZ                                             
REMARK 470     LYS B 690    CD   CE   NZ                                        
REMARK 470     THR B 692    CG2                                                 
REMARK 470     LYS B 694    CD   CE   NZ                                        
REMARK 470     GLU B 702    CG   CD   OE1  OE2                                  
REMARK 470     TRP B 709    CE3  CZ2  CZ3  CH2                                  
REMARK 470     GLU B 717    CG   CD   OE1  OE2                                  
REMARK 470     LEU B 720    CD1  CD2                                            
REMARK 470     GLU B 729    CG   CD   OE1  OE2                                  
REMARK 470     ILE B 730    CD1                                                 
REMARK 470     LYS B 733    CD   CE   NZ                                        
REMARK 470     SER B 736    OG                                                  
REMARK 470     LEU B 741    CG   CD1  CD2                                       
REMARK 470     GLU B 762    CD   OE1  OE2                                       
REMARK 470     GLU B 771    CD   OE1  OE2                                       
REMARK 470     GLN B 787    CD   OE1  NE2                                       
REMARK 470     GLN B 790    CG   CD   OE1  NE2                                  
REMARK 470     MET B 804    CE                                                  
REMARK 470     GLU B 806    CG   CD   OE1  OE2                                  
REMARK 470     LEU B 809    CD1  CD2                                            
REMARK 470     VAL B 817    CG2                                                 
REMARK 470     ARG B 819    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ARG B 823    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B 826    CG   CD   CE   NZ                                   
REMARK 470     LYS B 836    CG   CD   CE   NZ                                   
REMARK 470     GLU B 837    OE2                                                 
REMARK 470     GLU B 841    CG   CD   OE1  OE2                                  
REMARK 470     MET B 844    CE                                                  
REMARK 470     LEU B 847    CD1                                                 
REMARK 470     LEU B 856    CD1  CD2                                            
REMARK 470     LEU B 858    CD1  CD2                                            
REMARK 470     GLU B 863    OE1  OE2                                            
REMARK 470     MET B 865    CE                                                  
REMARK 470     ASN B 868    CG   OD1  ND2                                       
REMARK 470     LYS B 877    NZ                                                  
REMARK 470     LYS B 880    CG   CD   CE   NZ                                   
REMARK 470     LEU B 884    CD1  CD2                                            
REMARK 470     ARG B 886    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     PHE B 891    CE1  CZ                                             
REMARK 470     ARG B 893    NH1  NH2                                            
REMARK 470     LYS B 900    CG   CD   CE   NZ                                   
REMARK 470     LYS B 906    CD   CE   NZ                                        
REMARK 470     GLU B 907    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 908    CE   NZ                                             
REMARK 470     LEU B 909    CD1  CD2                                            
REMARK 470     ILE B 913    CG2                                                 
REMARK 470     GLU B 915    OE1  OE2                                            
REMARK 470     THR B 916    OG1  CG2                                            
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    GLN B 424       75.11    -62.61                                   
REMARK 500    SER B 425       71.37   -109.48                                   
REMARK 500    ALA B 433       34.75    -99.08                                   
REMARK 500    SER B 444       36.09    -73.65                                   
REMARK 500    ASN B 529       10.18   -155.46                                   
REMARK 500    SER B 565     -157.75     62.58                                   
REMARK 500    ASN B 637     -129.32     56.63                                   
REMARK 500    ASN B 638       55.50   -111.86                                   
REMARK 500    CYS B 640       84.91     63.23                                   
REMARK 500    ASP B 700       83.12   -154.95                                   
REMARK 500    PHE B 724       45.48    -78.01                                   
REMARK 500    HIS B 820       19.58     55.58                                   
REMARK 500    GLN B 871       98.60   -163.56                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 1001                
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue GOL B 1002                
DBREF  6J1X B  379   922  UNP    Q9H0M0   WWP1_HUMAN     379    922             
SEQADV 6J1X GLY B  373  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1X PRO B  374  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1X GLY B  375  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1X SER B  376  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1X GLU B  377  UNP  Q9H0M0              EXPRESSION TAG                 
SEQADV 6J1X PHE B  378  UNP  Q9H0M0              EXPRESSION TAG                 
SEQRES   1 B  550  GLY PRO GLY SER GLU PHE ARG PRO GLN PRO LEU PRO PRO          
SEQRES   2 B  550  GLY TRP GLU ARG ARG VAL ASP ASP ARG ARG ARG VAL TYR          
SEQRES   3 B  550  TYR VAL ASP HIS ASN THR ARG THR THR THR TRP GLN ARG          
SEQRES   4 B  550  PRO THR MET GLU SER VAL ARG ASN PHE GLU GLN TRP GLN          
SEQRES   5 B  550  SER GLN ARG ASN GLN LEU GLN GLY ALA MET GLN GLN PHE          
SEQRES   6 B  550  ASN GLN ARG TYR LEU TYR SER ALA SER MET LEU ALA ALA          
SEQRES   7 B  550  GLU ASN ASP PRO TYR GLY PRO LEU PRO PRO GLY TRP GLU          
SEQRES   8 B  550  LYS ARG VAL ASP SER THR ASP ARG VAL TYR PHE VAL ASN          
SEQRES   9 B  550  HIS ASN THR LYS THR THR GLN TRP GLU ASP PRO ARG THR          
SEQRES  10 B  550  GLN GLY LEU GLN ASN GLU GLU PRO LEU PRO GLU GLY TRP          
SEQRES  11 B  550  GLU ILE ARG TYR THR ARG GLU GLY VAL ARG TYR PHE VAL          
SEQRES  12 B  550  ASP HIS ASN THR ARG THR THR THR PHE LYS ASP PRO ARG          
SEQRES  13 B  550  ASN GLY LYS SER SER VAL THR LYS GLY GLY PRO GLN ILE          
SEQRES  14 B  550  ALA TYR GLU ARG GLY PHE ARG TRP LYS LEU ALA HIS PHE          
SEQRES  15 B  550  ARG TYR LEU CYS GLN SER ASN ALA LEU PRO SER HIS VAL          
SEQRES  16 B  550  LYS ILE ASN VAL SER ARG GLN THR LEU PHE GLU ASP SER          
SEQRES  17 B  550  PHE GLN GLN ILE MET ALA LEU LYS PRO TYR ASP LEU ARG          
SEQRES  18 B  550  ARG ARG LEU TYR VAL ILE PHE ARG GLY GLU GLU GLY LEU          
SEQRES  19 B  550  ASP TYR GLY GLY LEU ALA ARG GLU TRP PHE PHE LEU LEU          
SEQRES  20 B  550  SER HIS GLU VAL LEU ASN PRO MET TYR CYS LEU PHE GLU          
SEQRES  21 B  550  TYR ALA GLY LYS ASN ASN TYR CYS LEU GLN ILE ASN PRO          
SEQRES  22 B  550  ALA SER THR ILE ASN PRO ASP HIS LEU SER TYR PHE CYS          
SEQRES  23 B  550  PHE ILE GLY ARG PHE ILE ALA MET ALA LEU PHE HIS GLY          
SEQRES  24 B  550  LYS PHE ILE ASP THR GLY PHE SER LEU PRO PHE TYR LYS          
SEQRES  25 B  550  ARG MET LEU SER LYS LYS LEU THR ILE LYS ASP LEU GLU          
SEQRES  26 B  550  SER ILE ASP THR GLU PHE TYR ASN SER LEU ILE TRP ILE          
SEQRES  27 B  550  ARG ASP ASN ASN ILE GLU GLU CYS GLY LEU GLU MET TYR          
SEQRES  28 B  550  PHE SER VAL ASP MET GLU ILE LEU GLY LYS VAL THR SER          
SEQRES  29 B  550  HIS ASP LEU LYS LEU GLY GLY SER ASN ILE LEU VAL THR          
SEQRES  30 B  550  GLU GLU ASN LYS ASP GLU TYR ILE GLY LEU MET THR GLU          
SEQRES  31 B  550  TRP ARG PHE SER ARG GLY VAL GLN GLU GLN THR LYS ALA          
SEQRES  32 B  550  PHE LEU ASP GLY PHE ASN GLU VAL VAL PRO LEU GLN TRP          
SEQRES  33 B  550  LEU GLN TYR PHE ASP GLU LYS GLU LEU GLU VAL MET LEU          
SEQRES  34 B  550  CYS GLY MET GLN GLU VAL ASP LEU ALA ASP TRP GLN ARG          
SEQRES  35 B  550  ASN THR VAL TYR ARG HIS TYR THR ARG ASN SER LYS GLN          
SEQRES  36 B  550  ILE ILE TRP PHE TRP GLN PHE VAL LYS GLU THR ASP ASN          
SEQRES  37 B  550  GLU VAL ARG MET ARG LEU LEU GLN PHE VAL THR GLY THR          
SEQRES  38 B  550  CYS ARG LEU PRO LEU GLY GLY PHE ALA GLU LEU MET GLY          
SEQRES  39 B  550  SER ASN GLY PRO GLN LYS PHE CYS ILE GLU LYS VAL GLY          
SEQRES  40 B  550  LYS ASP THR TRP LEU PRO ARG SER HIS THR CYS PHE ASN          
SEQRES  41 B  550  ARG LEU ASP LEU PRO PRO TYR LYS SER TYR GLU GLN LEU          
SEQRES  42 B  550  LYS GLU LYS LEU LEU PHE ALA ILE GLU GLU THR GLU GLY          
SEQRES  43 B  550  PHE GLY GLN GLU                                              
HET    GOL  B1001       6                                                       
HET    GOL  B1002       6                                                       
HETNAM     GOL GLYCEROL                                                         
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   2  GOL    2(C3 H8 O3)                                                  
FORMUL   4  HOH   *54(H2 O)                                                     
HELIX    1 AA1 THR B  413  GLN B  424  1                                  12    
HELIX    2 AA2 ALA B  433  SER B  444  1                                  12    
HELIX    3 AA3 GLY B  546  ASN B  561  1                                  16    
HELIX    4 AA4 SER B  572  GLN B  574  5                                   3    
HELIX    5 AA5 THR B  575  ALA B  586  1                                  12    
HELIX    6 AA6 LYS B  588  ARG B  594  5                                   7    
HELIX    7 AA7 GLY B  610  VAL B  623  1                                  14    
HELIX    8 AA8 LEU B  624  CYS B  629  5                                   6    
HELIX    9 AA9 PRO B  645  ASN B  650  5                                   6    
HELIX   10 AB1 ASP B  652  HIS B  670  1                                  19    
HELIX   11 AB2 SER B  679  LEU B  687  1                                   9    
HELIX   12 AB3 THR B  692  ASP B  700  1                                   9    
HELIX   13 AB4 ASP B  700  ASN B  713  1                                  14    
HELIX   14 AB5 GLY B  742  ILE B  746  5                                   5    
HELIX   15 AB6 ASN B  752  ARG B  767  1                                  16    
HELIX   16 AB7 VAL B  769  GLU B  782  1                                  14    
HELIX   17 AB8 PRO B  785  GLN B  790  5                                   6    
HELIX   18 AB9 ASP B  793  GLY B  803  1                                  11    
HELIX   19 AC1 ASP B  808  ASN B  815  1                                   8    
HELIX   20 AC2 SER B  825  THR B  838  1                                  14    
HELIX   21 AC3 ASP B  839  GLY B  852  1                                  14    
HELIX   22 AC4 GLY B  860  GLU B  863  5                                   4    
HELIX   23 AC5 THR B  889  PHE B  891  5                                   3    
HELIX   24 AC6 SER B  901  GLU B  915  1                                  15    
SHEET    1 AA1 3 TRP B 387  VAL B 391  0                                        
SHEET    2 AA1 3 VAL B 397  ASP B 401 -1  O  TYR B 398   N  ARG B 390           
SHEET    3 AA1 3 THR B 407  THR B 408 -1  O  THR B 408   N  TYR B 399           
SHEET    1 AA2 3 TRP B 502  TYR B 506  0                                        
SHEET    2 AA2 3 ARG B 512  ASP B 516 -1  O  TYR B 513   N  ARG B 505           
SHEET    3 AA2 3 THR B 521  THR B 523 -1  O  THR B 523   N  PHE B 514           
SHEET    1 AA3 2 HIS B 566  VAL B 571  0                                        
SHEET    2 AA3 2 ARG B 595  PHE B 600  1  O  ILE B 599   N  ILE B 569           
SHEET    1 AA4 2 PHE B 631  GLY B 635  0                                        
SHEET    2 AA4 2 TYR B 639  ILE B 643 -1  O  TYR B 639   N  GLY B 635           
SHEET    1 AA5 2 SER B 725  ILE B 730  0                                        
SHEET    2 AA5 2 LYS B 733  ASP B 738 -1  O  THR B 735   N  MET B 728           
SHEET    1 AA6 4 VAL B 817  ARG B 819  0                                        
SHEET    2 AA6 4 CYS B 874  LYS B 877  1  O  ILE B 875   N  ARG B 819           
SHEET    3 AA6 4 ARG B 893  LEU B 896  1  O  LEU B 894   N  GLU B 876           
SHEET    4 AA6 4 ARG B 886  HIS B 888 -1  N  ARG B 886   O  ASP B 895           
SHEET    1 AA7 2 MET B 865  GLY B 866  0                                        
SHEET    2 AA7 2 GLY B 869  PRO B 870 -1  O  GLY B 869   N  GLY B 866           
SITE     1 AC1  4 TYR B 398  THR B 407  THR B 408  TRP B 409                    
SITE     1 AC2  6 ARG B 545  LYS B 795  GLU B 796  GLU B 841                    
SITE     2 AC2  6 ARG B 845  GLN B 848                                          
CRYST1   56.309   45.444  116.545  90.00  93.79  90.00 P 1 21 1      2          
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      0.017759  0.000000  0.001178        0.00000                         
SCALE2      0.000000  0.022005  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008599        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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