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Database: PDB
Entry: 2OP7
LinkDB: 2OP7
Original site: 2OP7 
HEADER    LIGASE                                  27-JAN-07   2OP7              
TITLE     WW4                                                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: NEDD4-LIKE E3 UBIQUITIN-PROTEIN LIGASE WWP1;               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 494-532;                                          
COMPND   5 SYNONYM: WW DOMAIN- CONTAINING PROTEIN 1, ATROPIN-1-                 
COMPND   6 INTERACTING PROTEIN 5, AIP5;                                         
COMPND   7 EC: 6.3.2.-;                                                         
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 BL21;                            
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 511693;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX4T1                                   
KEYWDS    WW DOMAIN, BETA SHEET, LIGASE                                         
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    H.N.QIN,M.F.LI,H.PU,S.SANKARAN,S.AHMED,J.X.SONG                       
REVDAT   2   24-FEB-09 2OP7    1       VERSN                                    
REVDAT   1   11-DEC-07 2OP7    0                                                
JRNL        AUTH   H.N.QIN,M.F.LI,H.PU,S.SANKARAN,S.AHMED,J.X.SONG              
JRNL        TITL   NMR STRUCTURE OF THE FORTH WW DOMAIN OF WWP1                 
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA CYANA 1.0.6                                    
REMARK   3   AUTHORS     : GUNTERT P.                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2OP7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JAN-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB041415.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.3                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : NULL                               
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 2D         
REMARK 210                                   NOESY, 2D TOCSY                    
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA CYANA 1.0.6                  
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY                  
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1000                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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  1 GLU A   2      -77.90    -97.38                                   
REMARK 500  1 LEU A   5       54.18     37.63                                   
REMARK 500  1 PRO A   6     -160.66    -74.93                                   
REMARK 500  1 THR A  14      -75.61   -139.97                                   
REMARK 500  1 ARG A  19      164.88    -43.40                                   
REMARK 500  1 THR A  26        0.85    -54.95                                   
REMARK 500  1 LYS A  38      124.14    -34.03                                   
REMARK 500  2 LEU A   5       53.97     38.63                                   
REMARK 500  2 PRO A   6     -160.69    -74.96                                   
REMARK 500  2 THR A  14      -43.49   -141.34                                   
REMARK 500  2 ARG A  19      125.48    -36.01                                   
REMARK 500  2 THR A  26        1.72    -54.78                                   
REMARK 500  2 LYS A  38      123.50    -34.13                                   
REMARK 500  3 GLU A   2      -78.19    -99.05                                   
REMARK 500  3 LEU A   5       54.68     37.69                                   
REMARK 500  3 PRO A   6     -161.28    -74.97                                   
REMARK 500  3 THR A  14      -63.95   -141.08                                   
REMARK 500  3 ARG A  19      163.10    -47.58                                   
REMARK 500  3 HIS A  24      -29.50    -39.27                                   
REMARK 500  3 THR A  26        0.92    -54.70                                   
REMARK 500  3 ASP A  33      165.66    -46.00                                   
REMARK 500  3 LYS A  38      141.64    -33.72                                   
REMARK 500  4 LEU A   5       54.62     37.34                                   
REMARK 500  4 PRO A   6     -161.28    -75.04                                   
REMARK 500  4 THR A  14      -89.49   -140.04                                   
REMARK 500  4 ARG A  15     -178.79    -69.55                                   
REMARK 500  4 ARG A  19      162.67    -41.70                                   
REMARK 500  4 HIS A  24      -28.75    -39.61                                   
REMARK 500  4 THR A  26        1.00    -55.31                                   
REMARK 500  4 ASP A  33      164.12    -46.03                                   
REMARK 500  4 PRO A  34       30.07    -75.01                                   
REMARK 500  4 LYS A  38      120.43    -34.09                                   
REMARK 500  5 PRO A   4       49.19    -75.07                                   
REMARK 500  5 LEU A   5       58.07     34.77                                   
REMARK 500  5 PRO A   6      -99.93    -74.96                                   
REMARK 500  5 GLU A   7      -54.69   -127.13                                   
REMARK 500  5 THR A  14      -66.53   -140.58                                   
REMARK 500  5 ARG A  19      166.66    -48.58                                   
REMARK 500  5 HIS A  24      -28.70    -39.81                                   
REMARK 500  5 THR A  26        1.32    -54.59                                   
REMARK 500  5 LYS A  38      119.42    -33.97                                   
REMARK 500  6 LEU A   5       55.87     36.00                                   
REMARK 500  6 PRO A   6     -162.02    -74.97                                   
REMARK 500  6 THR A  14      -95.16   -139.69                                   
REMARK 500  6 ARG A  15     -179.50    -58.70                                   
REMARK 500  6 ARG A  19      158.44    -38.50                                   
REMARK 500  6 HIS A  24      -28.21    -39.79                                   
REMARK 500  6 THR A  26        1.65    -55.00                                   
REMARK 500  6 ASP A  33      160.69    -46.92                                   
REMARK 500  6 LYS A  38      100.76    -33.95                                   
REMARK 500  7 LEU A   5      -57.72    172.64                                   
REMARK 500  7 GLU A   7      -66.13   -120.65                                   
REMARK 500  7 THR A  14     -103.71   -139.23                                   
REMARK 500  7 ARG A  15     -179.45    -61.85                                   
REMARK 500  7 ARG A  19      159.48    -36.91                                   
REMARK 500  7 THR A  26        1.60    -55.35                                   
REMARK 500  7 PRO A  34       47.32    -74.98                                   
REMARK 500  7 LYS A  38      136.79    -33.95                                   
REMARK 500  8 LEU A   5       54.21     37.75                                   
REMARK 500  8 PRO A   6     -160.99    -75.04                                   
REMARK 500  8 THR A  14      -62.95   -139.86                                   
REMARK 500  8 ARG A  19      154.76    -39.31                                   
REMARK 500  8 HIS A  24      -29.48    -39.80                                   
REMARK 500  8 THR A  26        1.12    -54.91                                   
REMARK 500  8 ASP A  33      153.90    -49.37                                   
REMARK 500  8 LYS A  38      123.96    -34.10                                   
REMARK 500  9 GLU A   2      -77.96    -42.85                                   
REMARK 500  9 LEU A   5       53.98     38.68                                   
REMARK 500  9 PRO A   6     -161.11    -74.98                                   
REMARK 500  9 THR A  14     -109.23   -137.83                                   
REMARK 500  9 ARG A  15      179.71    -57.01                                   
REMARK 500  9 ARG A  19      161.22    -37.65                                   
REMARK 500  9 THR A  26        1.32    -55.14                                   
REMARK 500  9 ASP A  33      168.67    -46.76                                   
REMARK 500  9 LYS A  38      121.48    -33.48                                   
REMARK 500 10 PRO A   4      -74.31    -74.90                                   
REMARK 500 10 LEU A   5      -57.80    173.91                                   
REMARK 500 10 THR A  14      -79.13   -138.50                                   
REMARK 500 10 ARG A  19      157.86    -38.07                                   
REMARK 500 10 THR A  26        1.52    -54.78                                   
REMARK 500 10 ASP A  33      157.24    -47.56                                   
REMARK 500 10 LYS A  38      141.59    -33.96                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2OP7 A    1    39  UNP    Q9H0M0   WWP1_HUMAN     494    532             
SEQRES   1 A   39  ASN GLU GLU PRO LEU PRO GLU GLY TRP GLU ILE ARG TYR          
SEQRES   2 A   39  THR ARG GLU GLY VAL ARG TYR PHE VAL ASP HIS ASN THR          
SEQRES   3 A   39  ARG THR THR THR PHE LYS ASP PRO ARG ASN GLY LYS SER          
SHEET    1   A 3 TRP A   9  ARG A  12  0                                        
SHEET    2   A 3 TYR A  20  ASP A  23 -1  O  TYR A  20   N  ARG A  12           
SHEET    3   A 3 THR A  29  THR A  30 -1  O  THR A  30   N  PHE A  21           
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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