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Database: PDB
Entry: 2JRJ
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Original site: 2JRJ 
HEADER    LIGASE                                  27-JUN-07   2JRJ              
TITLE     SOLUTION STRUCTURE OF THE HUMAN PIRH2 RING-H2 DOMAIN.                 
TITLE    2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET HT2B                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RING FINGER AND CHY ZINC FINGER DOMAIN                     
COMPND   3 CONTAINING PROTEIN 1;                                                
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: PIRH2 RING-H2 DOMAIN: RESIDUES 138-189;                    
COMPND   6 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: RCHY1;                                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX                                      
KEYWDS    UBIQUITIN E3 LIGASE, RING DOMAIN, STRUCTURAL GENOMICS,                
KEYWDS   2 PROTEIN STRUCTURE INITIATIVE, PSI-2, NORTHEAST STRUCTURAL            
KEYWDS   3 GENOMICS CONSORTIUM, NESG                                            
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    Y.SHENG,A.LEMAK,R.C.LAISTER,B.WU,C.H.ARROWSMITH,NORTHEAST             
AUTHOR   2 STRUCTURAL GENOMICS CONSORTIUM (NESG)                                
REVDAT   4   28-APR-09 2JRJ    1       JRNL                                     
REVDAT   3   24-FEB-09 2JRJ    1       VERSN                                    
REVDAT   2   06-MAY-08 2JRJ    1       SOURCE                                   
REVDAT   1   10-JUL-07 2JRJ    0                                                
JRNL        AUTH   Y.SHENG,R.C.LAISTER,A.LEMAK,B.WU,E.TAI,S.DUAN,               
JRNL        AUTH 2 J.LUKIN,M.SUNNERHAGEN,S.SRISAILAM,M.KARRA,                   
JRNL        AUTH 3 S.BENCHIMOL,C.H.ARROWSMITH                                   
JRNL        TITL   MOLECULAR BASIS OF PIRH2-MEDIATED P53                        
JRNL        TITL 2 UBIQUITYLATION.                                              
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  15  1334 2008              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   19043414                                                     
JRNL        DOI    10.1038/NSMB.1521                                            
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2JRJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-JUL-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB100199.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 300                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 150                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.7 MM [U-13C; U-15N] PIRH2        
REMARK 210                                   RING DOMAIN, 25 MM SODIUM          
REMARK 210                                   PHOSPHATE, 150 MM POTASSIUM        
REMARK 210                                   CHLORIDE, 10 UM ZNCL2, 2 MM [U     
REMARK 210                                   -99% 2H] DTT, 90% H2O/10% D2O;     
REMARK 210                                   0.7 MM [U-13C; U-15N] PIRH2        
REMARK 210                                   RING DOMAIN, 25 MM SODIUM          
REMARK 210                                   PHOSPHATE, 150 MM POTASSIUM        
REMARK 210                                   CHLORIDE, 10 UM ZNCL2, 2 MM [U     
REMARK 210                                   -99% 2H] DTT, 100% D2O             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D C(CO)NH; 3D HNCACB; 3D          
REMARK 210                                   H(CCO)NH; 3D HNCO; 3D 1H-15N       
REMARK 210                                   NOESY; 3D 1H-13C NOESY; 3D         
REMARK 210                                   HCCH-TOCSY; 3D 1H-13C_AROMATIC     
REMARK 210                                   NOESY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE; INOVA                      
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER; VARIAN                     
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, XEASY, CYANA              
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
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 CYS A  20       18.15   -161.69                                   
REMARK 500  2 ASN A  11       91.76     60.53                                   
REMARK 500  2 SER A  13       83.53    -68.47                                   
REMARK 500  2 GLN A  14       93.83   -165.86                                   
REMARK 500  2 CYS A  20       12.12   -157.10                                   
REMARK 500  2 CYS A  55      108.24    -54.59                                   
REMARK 500  3 LEU A  21       72.28     52.41                                   
REMARK 500  3 SER A  27      106.42    -52.35                                   
REMARK 500  3 CYS A  55      109.62    -54.26                                   
REMARK 500  4 CYS A  20       18.40   -156.70                                   
REMARK 500  4 SER A  27       99.45    -57.54                                   
REMARK 500  5 CYS A  20       17.49   -164.12                                   
REMARK 500  6 CYS A  20       22.77   -165.21                                   
REMARK 500  6 SER A  27      104.89    -59.63                                   
REMARK 500  7 ASN A  11       66.70   -160.16                                   
REMARK 500  7 CYS A  20       20.41   -165.15                                   
REMARK 500  7 LEU A  21       89.65     55.73                                   
REMARK 500  7 SER A  27       97.21    -66.30                                   
REMARK 500  8 CYS A  20       19.36   -171.68                                   
REMARK 500  8 CYS A  55      109.72    -54.14                                   
REMARK 500  9 ASN A  11      126.58   -177.26                                   
REMARK 500  9 SER A  13      118.71   -168.21                                   
REMARK 500  9 CYS A  20       25.41   -166.42                                   
REMARK 500  9 SER A  27      106.81    -58.23                                   
REMARK 500  9 CYS A  55      107.83    -55.63                                   
REMARK 500 10 CYS A  20       22.49   -173.55                                   
REMARK 500 11 VAL A  12       79.15   -115.49                                   
REMARK 500 11 CYS A  20       16.96   -157.57                                   
REMARK 500 11 CYS A  55      108.28    -53.91                                   
REMARK 500 12 ASN A  11       89.20     69.44                                   
REMARK 500 12 CYS A  20       18.22   -164.81                                   
REMARK 500 12 LEU A  21       83.68     49.91                                   
REMARK 500 12 SER A  27      108.52    -45.47                                   
REMARK 500 12 CYS A  55      108.80    -55.68                                   
REMARK 500 13 CYS A  20       14.76   -158.08                                   
REMARK 500 14 CYS A  20       10.81   -161.16                                   
REMARK 500 14 LEU A  21       94.12     54.76                                   
REMARK 500 14 SER A  27       86.79    -48.73                                   
REMARK 500 15 VAL A  12      -77.13    -73.75                                   
REMARK 500 15 CYS A  20       22.62   -163.09                                   
REMARK 500 15 SER A  27       93.88    -61.65                                   
REMARK 500 15 VAL A  30      -63.14    -99.09                                   
REMARK 500 16 CYS A  20       12.63   -162.18                                   
REMARK 500 16 LEU A  21       91.02     54.97                                   
REMARK 500 16 SER A  27       89.91    -57.52                                   
REMARK 500 17 CYS A  20       17.69   -163.61                                   
REMARK 500 17 LEU A  21       80.00     49.08                                   
REMARK 500 17 SER A  27       94.52    -60.12                                   
REMARK 500 18 GLN A  15       87.69    -69.04                                   
REMARK 500 18 CYS A  20       21.95   -167.87                                   
REMARK 500 18 SER A  27       89.47    -64.74                                   
REMARK 500 19 ASN A  11       88.46    -59.64                                   
REMARK 500 19 CYS A  20       20.50   -168.31                                   
REMARK 500 19 LEU A  21       72.72     48.26                                   
REMARK 500 19 SER A  27       98.69    -55.40                                   
REMARK 500 19 PRO A  35        1.15    -64.11                                   
REMARK 500 20 CYS A  20       12.10   -155.59                                   
REMARK 500 20 LEU A  21       79.56     52.37                                   
REMARK 500 20 SER A  27       99.51    -59.80                                   
REMARK 500 20 HIS A  60      121.11     64.49                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620  (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;              
REMARK 620  SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                            
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  ZN A  62  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  17   SG                                                     
REMARK 620 2 CYS A  20   SG  111.7                                              
REMARK 620 3 HIS A  41   NE2 107.2 109.1                                        
REMARK 620 4 CYS A  44   SG  109.2 112.5 107.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  ZN A  63  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  36   SG                                                     
REMARK 620 2 HIS A  38   NE2 106.0                                              
REMARK 620 3 CYS A  55   SG  112.6 105.6                                        
REMARK 620 4 CYS A  58   SG  114.5 106.4 111.0                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 62                   
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 63                   
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HT2B   RELATED DB: TARGETDB                              
DBREF  2JRJ A   10    61  UNP    Q86X26   Q86X26_HUMAN   138    189             
SEQRES   1 A   52  GLU ASN VAL SER GLN GLN ASN CYS PRO ILE CYS LEU GLU          
SEQRES   2 A   52  ASP ILE HIS THR SER ARG VAL VAL ALA HIS VAL LEU PRO          
SEQRES   3 A   52  CYS GLY HIS LEU LEU HIS ARG THR CYS TYR GLU GLU MET          
SEQRES   4 A   52  LEU LYS GLU GLY TYR ARG CYS PRO LEU CYS MET HIS SER          
HET     ZN  A  62       1                                                       
HET     ZN  A  63       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    2(ZN 2+)                                                     
HELIX    1   1 ARG A   42  GLY A   52  1                                  11    
HELIX    2   2 CYS A   55  HIS A   60  5                                   6    
SHEET    1   A 2 ASN A  16  CYS A  17  0                                        
SHEET    2   A 2 GLU A  22  ASP A  23 -1  O  GLU A  22   N  CYS A  17           
SHEET    1   B 2 ALA A  31  VAL A  33  0                                        
SHEET    2   B 2 LEU A  39  HIS A  41 -1  O  LEU A  40   N  HIS A  32           
LINK        ZN    ZN A  62                 SG  CYS A  17     1555   1555  2.34  
LINK        ZN    ZN A  62                 SG  CYS A  20     1555   1555  2.34  
LINK        ZN    ZN A  62                 NE2 HIS A  41     1555   1555  2.08  
LINK        ZN    ZN A  62                 SG  CYS A  44     1555   1555  2.33  
LINK        ZN    ZN A  63                 SG  CYS A  36     1555   1555  2.35  
LINK        ZN    ZN A  63                 NE2 HIS A  38     1555   1555  2.06  
LINK        ZN    ZN A  63                 SG  CYS A  55     1555   1555  2.34  
LINK        ZN    ZN A  63                 SG  CYS A  58     1555   1555  2.33  
SITE     1 AC1  4 CYS A  17  CYS A  20  HIS A  41  CYS A  44                    
SITE     1 AC2  4 CYS A  36  HIS A  38  CYS A  55  CYS A  58                    
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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