GenomeNet

Database: PDB
Entry: 2WX1
LinkDB: 2WX1
Original site: 2WX1 
HEADER    PROTEIN BINDING                         30-OCT-09   2WX1              
TITLE     TAB2 NZF DOMAIN IN COMPLEX WITH LYS63-LINKED TRI-UBIQUITIN,           
TITLE    2 P212121                                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: UBIQUITIN;                                                 
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 MOL_ID: 2;                                                           
COMPND   5 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE             
COMPND   6  7-INTERACTING PROTEIN 2;                                            
COMPND   7 CHAIN: C;                                                            
COMPND   8 FRAGMENT: TAB2 NZF DOMAIN, RESIDUES 663-693;                         
COMPND   9 SYNONYM: TAK1-BINDING PROTEIN 2;                                     
COMPND  10 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 SYNTHETIC: YES;                                                      
SOURCE   3 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
SOURCE   4 ORGANISM_TAXID: 9913;                                                
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   7 ORGANISM_TAXID: 9606;                                                
SOURCE   8 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   9 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    PROTEIN BINDING, ISOPEPTIDE BOND, NZF DOMAIN, ZINC-FINGER,            
KEYWDS   2 METAL-BINDING                                                        
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    Y.KULATHU,M.AKUTSU,A.BREMM,K.HOFMANN,D.KOMANDER                       
REVDAT   4   11-MAY-11 2WX1    1       JRNL   REMARK                            
REVDAT   3   02-FEB-10 2WX1    1       KEYWDS REMARK                            
REVDAT   2   08-DEC-09 2WX1    1       JRNL   REMARK                            
REVDAT   1   24-NOV-09 2WX1    0                                                
JRNL        AUTH   Y.KULATHU,M.AKUTSU,A.BREMM,K.HOFMANN,D.KOMANDER              
JRNL        TITL   TWO-SIDED UBIQUITIN BINDING EXPLAINS SPECIFICITY             
JRNL        TITL 2 OF THE TAB2 NZF DOMAIN                                       
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  16  1328 2009              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   19935683                                                     
JRNL        DOI    10.1038/NSMB.1731                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.00 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE)                               
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT 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) : 3.000                          
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 32.391                         
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.04                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 92.33                          
REMARK   3   NUMBER OF REFLECTIONS             : 3188                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.2251                          
REMARK   3   R VALUE            (WORKING SET) : 0.2222                          
REMARK   3   FREE R VALUE                     : 0.2691                          
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.7                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 181                             
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 32.3926 -  3.0005    0.92     3007   181  0.2222 0.2691        
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              : 0.313                                         
REMARK   3   B_SOL              : 43.331                                        
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.34             
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.75            
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 50.86                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -16.8378                                             
REMARK   3    B22 (A**2) : 3.5498                                               
REMARK   3    B33 (A**2) : -21.6110                                             
REMARK   3    B12 (A**2) : 0.0000                                               
REMARK   3    B13 (A**2) : 0.0000                                               
REMARK   3    B23 (A**2) : 0.0000                                               
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      :  0.001           1249                                  
REMARK   3   ANGLE     :  0.325           1705                                  
REMARK   3   CHIRALITY :  0.023            214                                  
REMARK   3   PLANARITY :  0.001            221                                  
REMARK   3   DIHEDRAL  : 11.623            424                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 3                                          
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN A                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.0821  18.8260 -13.9646              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1787 T22:   0.2037                                     
REMARK   3      T33:   0.2380 T12:  -0.0234                                     
REMARK   3      T13:   0.0392 T23:  -0.0401                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1825 L22:   0.8289                                     
REMARK   3      L33:   0.3267 L12:  -0.3581                                     
REMARK   3      L13:  -0.0751 L23:   0.2890                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0039 S12:  -0.2290 S13:   0.1756                       
REMARK   3      S21:  -0.0796 S22:   0.3063 S23:  -0.5341                       
REMARK   3      S31:   0.0144 S32:   0.2026 S33:   0.0278                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN B                                                
REMARK   3    ORIGIN FOR THE GROUP (A):  -2.6372  -3.1314   4.0117              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2059 T22:   0.1414                                     
REMARK   3      T33:   0.1356 T12:   0.0032                                     
REMARK   3      T13:  -0.0012 T23:  -0.0220                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0654 L22:   2.3015                                     
REMARK   3      L33:   0.5946 L12:   0.3763                                     
REMARK   3      L13:  -0.0597 L23:  -0.6881                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0832 S12:   0.0525 S13:  -0.0835                       
REMARK   3      S21:  -0.0152 S22:  -0.1038 S23:  -0.4312                       
REMARK   3      S31:   0.0946 S32:  -0.0841 S33:  -0.1590                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN C                                                
REMARK   3    ORIGIN FOR THE GROUP (A): -13.6917   2.3524 -11.3142              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0005 T22:   0.1441                                     
REMARK   3      T33:   0.0543 T12:  -0.0757                                     
REMARK   3      T13:   0.0918 T23:  -0.0220                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2475 L22:   0.0379                                     
REMARK   3      L33:   0.2738 L12:  -0.0219                                     
REMARK   3      L13:  -0.1044 L23:   0.0993                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2327 S12:   0.3222 S13:  -0.1479                       
REMARK   3      S21:   0.0306 S22:   0.0268 S23:   0.1101                       
REMARK   3      S31:   0.1824 S32:  -0.1459 S33:  -0.0213                       
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 2WX1 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 01-NOV-09.                  
REMARK 100 THE PDBE ID CODE IS EBI-41588.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : NULL                               
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : ESRF                               
REMARK 200  BEAMLINE                       : ID14-4                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9795                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC                               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : NULL                               
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 3385                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.00                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 70.89                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.2                                
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.6                               
REMARK 200  DATA REDUNDANCY                : 3.2                                
REMARK 200  R MERGE                    (I) : 0.12                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.90                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER                        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NONE                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 45.73                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.28                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       15.24500            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       36.41000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       35.46000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       36.41000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       15.24500            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       35.46000            
REMARK 290   SMTRY3   4  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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2050 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 10930 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -4.9 KCAL/MOL                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 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     LEU A    73                                                      
REMARK 465     ARG A    74                                                      
REMARK 465     GLY A    75                                                      
REMARK 465     GLY A    76                                                      
REMARK 465     LEU B     8                                                      
REMARK 465     THR B     9                                                      
REMARK 465     LEU B    71                                                      
REMARK 465     ARG B    72                                                      
REMARK 465     LEU B    73                                                      
REMARK 465     ARG B    74                                                      
REMARK 465     GLY B    75                                                      
REMARK 465     GLY B    76                                                      
REMARK 465     ASP C   663                                                      
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 A   2    CG   CD   OE1  NE2                                  
REMARK 470     LYS A   6    CG   CD   CE   NZ                                   
REMARK 470     LYS A  11    CG   CD   CE   NZ                                   
REMARK 470     GLU A  18    CG   CD   OE1  OE2                                  
REMARK 470     GLU A  24    CG   CD   OE1  OE2                                  
REMARK 470     LYS A  33    CG   CD   CE   NZ                                   
REMARK 470     ARG A  42    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A  48    CG   CD   CE   NZ                                   
REMARK 470     GLU A  51    CG   CD   OE1  OE2                                  
REMARK 470     GLN A  62    CG   CD   OE1  NE2                                  
REMARK 470     LYS A  63    CG   CD   CE   NZ                                   
REMARK 470     GLU A  64    CG   CD   OE1  OE2                                  
REMARK 470     ARG A  72    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B   6    CG   CD   CE   NZ                                   
REMARK 470     LYS B  11    CG   CD   CE   NZ                                   
REMARK 470     GLU B  18    CG   CD   OE1  OE2                                  
REMARK 470     SER B  20    OG                                                  
REMARK 470     GLU B  24    CG   CD   OE1  OE2                                  
REMARK 470     LYS B  29    CG   CD   CE   NZ                                   
REMARK 470     ASP B  39    CG   OD1  OD2                                       
REMARK 470     GLN B  40    CG   CD   OE1  NE2                                  
REMARK 470     ARG B  42    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS B  48    CG   CD   CE   NZ                                   
REMARK 470     ASP B  52    CG   OD1  OD2                                       
REMARK 470     ARG B  54    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     ASN B  60    CG   OD1  ND2                                       
REMARK 470     GLN B  62    CG   CD   OE1  NE2                                  
REMARK 470     LYS B  63    CG   CD   CE   NZ                                   
REMARK 470     LEU B  69    CG   CD1  CD2                                       
REMARK 470     ARG C 683    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLU C 688    CG   CD   OE1  OE2                                  
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    GLU A  34      -20.00   -146.06                                   
REMARK 500    GLN B  62     -168.24    -71.19                                   
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  ZN C1694                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1E0Q   RELATED DB: PDB                                   
REMARK 900  MUTANT PEPTIDE FROM THE FIRST N-TERMINAL                            
REMARK 900  17 AMINO-ACID OF UBIQUITIN                                          
REMARK 900 RELATED ID: 2C7M   RELATED DB: PDB                                   
REMARK 900  COMPLEX OF HUMAN RABEX-5 RESIDUES 1-74                              
REMARK 900  IN COMPLEX WITH UBIQUITIN                                           
REMARK 900 RELATED ID: 1YD8   RELATED DB: PDB                                   
REMARK 900  COMPLEX OF HUMAN GGA3 GAT DOMAIN AND UBIQUITIN                      
REMARK 900 RELATED ID: 2C7N   RELATED DB: PDB                                   
REMARK 900  HUMAN RABEX-5 RESIDUES 1-74 IN COMPLEX WITH UBIQUITIN               
REMARK 900 RELATED ID: 2D3G   RELATED DB: PDB                                   
REMARK 900  DOUBLE SIDED UBIQUITIN BINDING OF HRS-UIM                           
REMARK 900 RELATED ID: 2FIF   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF A BOVINE RABEX-5                               
REMARK 900  FRAGMENT COMPLEXEDWITH UBIQUITIN                                    
REMARK 900 RELATED ID: 1P3Q   RELATED DB: PDB                                   
REMARK 900  MECHANISM OF UBIQUITIN RECOGNITION BY THE                           
REMARK 900  CUE DOMAIN OF VPS9                                                  
REMARK 900 RELATED ID: 1V80   RELATED DB: PDB                                   
REMARK 900  SOLUTION STRUCTURES OF UBIQUITIN AT 30 BAR                          
REMARK 900  AND 3 KBAR                                                          
REMARK 900 RELATED ID: 1WR6   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF GGA3 GAT DOMAIN IN                             
REMARK 900  COMPLEX WITHUBIQUITIN                                               
REMARK 900 RELATED ID: 2FID   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF A BOVINE RABEX-5                               
REMARK 900  FRAGMENT COMPLEXEDWITH UBIQUITIN                                    
REMARK 900 RELATED ID: 1V81   RELATED DB: PDB                                   
REMARK 900  SOLUTION STRUCTURES OF UBIQUITIN AT 30 BAR                          
REMARK 900  AND 3 KBAR                                                          
REMARK 900 RELATED ID: 1AAR   RELATED DB: PDB                                   
REMARK 900  DI-UBIQUITIN                                                        
REMARK 900 RELATED ID: 1WRD   RELATED DB: PDB                                   
REMARK 900  CRYSTAL STRUCTURE OF TOM1 GAT DOMAIN IN                             
REMARK 900  COMPLEX WITHUBIQUITIN                                               
REMARK 900 RELATED ID: 1UZX   RELATED DB: PDB                                   
REMARK 900  A COMPLEX OF THE VPS23 UEV WITH UBIQUITIN                           
REMARK 900 RELATED ID: 2WX0   RELATED DB: PDB                                   
REMARK 900  TAB2 NZF DOMAIN IN COMPLEX WITH LYS63-                              
REMARK 900  LINKED DI-UBIQUITIN, P21                                            
REMARK 900 RELATED ID: 2WWZ   RELATED DB: PDB                                   
REMARK 900  TAB2 NZF DOMAIN IN COMPLEX WITH LYS63-                              
REMARK 900  LINKED DI-UBIQUITIN, P212121                                        
DBREF  2WX1 A    1    76  UNP    P62990   UBIQ_BOVIN       1     76             
DBREF  2WX1 B    1    76  UNP    P62990   UBIQ_BOVIN       1     76             
DBREF  2WX1 C  663   693  UNP    Q9NYJ8   TAB2_HUMAN     663    693             
SEQRES   1 A   76  MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE          
SEQRES   2 A   76  THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL          
SEQRES   3 A   76  LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP          
SEQRES   4 A   76  GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP          
SEQRES   5 A   76  GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER          
SEQRES   6 A   76  THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY                  
SEQRES   1 B   76  MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE          
SEQRES   2 B   76  THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL          
SEQRES   3 B   76  LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP          
SEQRES   4 B   76  GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP          
SEQRES   5 B   76  GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER          
SEQRES   6 B   76  THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY                  
SEQRES   1 C   31  ASP GLU GLY ALA GLN TRP ASN CYS THR ALA CYS THR PHE          
SEQRES   2 C   31  LEU ASN HIS PRO ALA LEU ILE ARG CYS GLU GLN CYS GLU          
SEQRES   3 C   31  MET PRO ARG HIS PHE                                          
HET     ZN  C1694       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   4   ZN    ZN 2+                                                        
HELIX    1   1 THR A   22  LYS A   33  1                                  12    
HELIX    2   2 PRO A   37  ASP A   39  5                                   3    
HELIX    3   3 THR B   22  GLY B   35  1                                  14    
HELIX    4   4 PRO B   37  GLN B   41  5                                   5    
SHEET    1  AA 5 THR A  12  GLU A  16  0                                        
SHEET    2  AA 5 GLN A   2  LYS A   6 -1  O  ILE A   3   N  LEU A  15           
SHEET    3  AA 5 THR A  66  LEU A  71  1  O  LEU A  67   N  LYS A   6           
SHEET    4  AA 5 GLN A  41  PHE A  45 -1  O  ARG A  42   N  VAL A  70           
SHEET    5  AA 5 LYS A  48  GLN A  49 -1  O  LYS A  48   N  PHE A  45           
SHEET    1  BA 5 THR B  12  GLU B  16  0                                        
SHEET    2  BA 5 GLN B   2  LYS B   6 -1  O  ILE B   3   N  LEU B  15           
SHEET    3  BA 5 THR B  66  LEU B  69  1  O  LEU B  67   N  LYS B   6           
SHEET    4  BA 5 LEU B  43  PHE B  45 -1  O  ILE B  44   N  HIS B  68           
SHEET    5  BA 5 LYS B  48  GLN B  49 -1  O  LYS B  48   N  PHE B  45           
SSBOND   1 CYS C  670    CYS C  684                          1555   1555  2.04  
SITE     1 AC1  5 CYS C 670  ALA C 672  CYS C 673  CYS C 684                    
SITE     2 AC1  5 CYS C 687                                                     
CRYST1   30.490   70.920   72.820  90.00  90.00  90.00 P 21 21 21    8          
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      0.032798  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.014100  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013732        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system