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Database: PDB
Entry: 2E72
LinkDB: 2E72
Original site: 2E72 
HEADER    STRUCTURAL GENOMICS, UNKNOWN FUNCTION   05-JAN-07   2E72              
TITLE     SOLUTION STRUCTURE OF THE ZINC FINGER DOMAIN OF HUMAN                 
TITLE    2 KIAA0461                                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: POGO TRANSPOSABLE ELEMENT WITH ZNF DOMAIN;                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: ZINC FINGER DOMAIN;                                        
COMPND   5 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: POGZ, KIAA0461;                                                
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P050912-02;                               
SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    ZINC FINGER DOMAIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL             
KEYWDS   2 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,               
KEYWDS   3 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,               
KEYWDS   4 UNKNOWN FUNCTION                                                     
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    W.TANABE,S.SUZUKI,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,                   
AUTHOR   2 M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS           
AUTHOR   3 INITIATIVE (RSGI)                                                    
REVDAT   2   24-FEB-09 2E72    1       VERSN                                    
REVDAT   1   10-JUL-07 2E72    0                                                
JRNL        AUTH   W.TANABE,S.SUZUKI,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,          
JRNL        AUTH 2 M.SHIROUZU,S.YOKOYAMA                                        
JRNL        TITL   SOLUTION STRUCTURE OF THE ZINC FINGER DOMAIN OF              
JRNL        TITL 2 HUMAN KIAA0461                                               
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 2.0.17                                         
REMARK   3   AUTHORS     : GUNTERT, P.                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2E72 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-JAN-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB026306.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 120MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.31MM 13C-15N PROTEIN; 20MM       
REMARK 210                                   D-TRIS-HCL(PH7.0); 100MM NACL;     
REMARK 210                                   1MM D-DTT; 0.02% NAN3; 10%         
REMARK 210                                   D2O; 0.05MM ZNCL2+1MM IDA, 90%     
REMARK 210                                   H2O, 10% D2O                       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 3D_        
REMARK 210                                   13C-SEPARATED_NOESY                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 700 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 3.5, NMRPIPE               
REMARK 210                                   20031121, NMRVIEW 5.0.4,           
REMARK 210                                   NMRVIEW 0.9742, CYANA 2.0.17       
REMARK 210   METHOD USED                   : TORSION ANGLE DYANAMICS,           
REMARK 210                                   SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS,              
REMARK 210                                   STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY, 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 SER A 367      105.65    -51.61                                   
REMARK 500  1 SER A 368       88.40    -62.66                                   
REMARK 500  1 ARG A 374      102.46    -36.66                                   
REMARK 500  1 PRO A 378        3.13    -69.75                                   
REMARK 500  1 ARG A 379      -75.10   -106.11                                   
REMARK 500  1 VAL A 402      101.11    -38.96                                   
REMARK 500  2 PRO A 378        2.80    -69.82                                   
REMARK 500  2 ARG A 379      -65.53   -106.42                                   
REMARK 500  2 MET A 401       46.08    -89.63                                   
REMARK 500  3 SER A 367      161.13    -45.49                                   
REMARK 500  3 GLN A 370      166.64    -47.55                                   
REMARK 500  3 ASP A 371      -51.89   -130.81                                   
REMARK 500  3 PRO A 378        3.70    -69.77                                   
REMARK 500  3 ASN A 381       25.48     40.97                                   
REMARK 500  3 PRO A 399        3.11    -69.72                                   
REMARK 500  3 SER A 406      154.61    -48.66                                   
REMARK 500  4 SER A 368       41.93    -83.71                                   
REMARK 500  4 PRO A 378        3.14    -69.69                                   
REMARK 500  4 ARG A 379      -69.17   -104.97                                   
REMARK 500  4 VAL A 402      106.50    -40.92                                   
REMARK 500  5 SER A 364      147.79    -35.72                                   
REMARK 500  5 PRO A 378        4.07    -69.72                                   
REMARK 500  5 ASN A 381       28.47     37.70                                   
REMARK 500  5 PRO A 399        0.62    -69.82                                   
REMARK 500  5 MET A 401       43.84    -82.91                                   
REMARK 500  6 PRO A 378        3.73    -69.80                                   
REMARK 500  6 MET A 401       50.69    -97.03                                   
REMARK 500  7 PRO A 378        4.75    -69.78                                   
REMARK 500  7 ASN A 381       27.20     38.44                                   
REMARK 500  7 MET A 401       47.65    -85.54                                   
REMARK 500  7 VAL A 402      -52.13   -133.87                                   
REMARK 500  8 PRO A 378        5.07    -69.78                                   
REMARK 500  8 ASN A 381       33.57     34.13                                   
REMARK 500  8 PRO A 399        0.96    -69.79                                   
REMARK 500  8 MET A 401       76.39   -119.06                                   
REMARK 500  8 GLU A 403      104.22    -42.53                                   
REMARK 500  9 CYS A 377      119.61    -35.13                                   
REMARK 500  9 PRO A 378        5.84    -69.78                                   
REMARK 500  9 PRO A 399        0.44    -69.82                                   
REMARK 500  9 MET A 401       70.41   -118.35                                   
REMARK 500 10 PRO A 378        2.25    -69.81                                   
REMARK 500 10 ARG A 379      -67.34   -106.21                                   
REMARK 500 10 ASN A 381       47.62     70.07                                   
REMARK 500 10 VAL A 402      118.65    -34.78                                   
REMARK 500 10 GLU A 403      172.92    -48.09                                   
REMARK 500 10 SER A 410       42.06    -92.57                                   
REMARK 500 11 PRO A 378        5.16    -69.82                                   
REMARK 500 11 ASN A 381       25.68     46.87                                   
REMARK 500 11 HIS A 393      -39.20    -38.39                                   
REMARK 500 11 VAL A 402      108.56    -49.22                                   
REMARK 500 12 PRO A 378        2.72    -69.82                                   
REMARK 500 12 ARG A 379      -64.02   -103.46                                   
REMARK 500 12 ARG A 385      -55.57   -120.92                                   
REMARK 500 12 PRO A 399        1.82    -69.74                                   
REMARK 500 12 MET A 401       44.17    -79.67                                   
REMARK 500 13 PRO A 378        4.38    -69.84                                   
REMARK 500 13 ASN A 381       24.95     41.39                                   
REMARK 500 13 GLU A 403      114.30    -36.77                                   
REMARK 500 13 SER A 409       85.85    -69.34                                   
REMARK 500 13 SER A 410       41.92   -105.64                                   
REMARK 500 14 PRO A 378        5.41    -69.80                                   
REMARK 500 14 ASN A 381       51.11     31.65                                   
REMARK 500 14 CYS A 397      -75.22    -62.81                                   
REMARK 500 14 CYS A 398       79.03   -110.69                                   
REMARK 500 15 PRO A 378        2.81    -69.67                                   
REMARK 500 15 ARG A 379      -68.82   -107.39                                   
REMARK 500 15 ASN A 381       49.05     71.68                                   
REMARK 500 15 ARG A 385      -62.11    -98.35                                   
REMARK 500 16 SER A 368      109.25    -47.05                                   
REMARK 500 16 ARG A 374       96.79    -60.32                                   
REMARK 500 16 PRO A 378        5.49    -69.74                                   
REMARK 500 16 ASN A 381       37.87     32.52                                   
REMARK 500 16 VAL A 402      121.66    -39.08                                   
REMARK 500 17 PRO A 378        4.47    -69.76                                   
REMARK 500 17 ARG A 379      -65.09   -105.91                                   
REMARK 500 17 MET A 401       48.70    -89.44                                   
REMARK 500 17 GLU A 403      101.95    -50.51                                   
REMARK 500 18 SER A 364       43.06    -80.96                                   
REMARK 500 18 CYS A 377      116.55    -34.19                                   
REMARK 500 18 PRO A 378        5.42    -69.74                                   
REMARK 500 18 ARG A 379      -62.30   -100.19                                   
REMARK 500 18 HIS A 393      -32.31    -35.25                                   
REMARK 500 18 VAL A 402      127.48    -37.06                                   
REMARK 500 19 SER A 364       87.01    -68.41                                   
REMARK 500 19 PRO A 378        6.14    -69.77                                   
REMARK 500 19 GLU A 403      104.92    -57.08                                   
REMARK 500 19 SER A 409      -71.00    -80.52                                   
REMARK 500 20 ASP A 371      103.07    -53.38                                   
REMARK 500 20 PRO A 378        5.51    -69.78                                   
REMARK 500 20 ASN A 381       34.11     34.86                                   
REMARK 500 20 GLU A 388      -34.83    -34.98                                   
REMARK 500 20 SER A 409      -60.73    -91.89                                   
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 201  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A 377   SG                                                     
REMARK 620 2 CYS A 380   SG  103.6                                              
REMARK 620 3 HIS A 393   NE2 111.2  85.8                                        
REMARK 620 4 CYS A 397   SG  117.9 118.3 115.3                                  
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 201                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSK002000449.1   RELATED DB: TARGETDB                    
DBREF  2E72 A  370   405  UNP    Q7Z3K3   POGZ_HUMAN     370    405             
SEQADV 2E72 GLY A  363  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 SER A  364  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 SER A  365  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 GLY A  366  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 SER A  367  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 SER A  368  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 GLY A  369  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 SER A  406  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 GLY A  407  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 PRO A  408  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 SER A  409  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 SER A  410  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQADV 2E72 GLY A  411  UNP  Q7Z3K3              CLONING ARTIFACT               
SEQRES   1 A   49  GLY SER SER GLY SER SER GLY GLN ASP GLY GLY ARG LYS          
SEQRES   2 A   49  ILE CYS PRO ARG CYS ASN ALA GLN PHE ARG VAL THR GLU          
SEQRES   3 A   49  ALA LEU ARG GLY HIS MET CYS TYR CYS CYS PRO GLU MET          
SEQRES   4 A   49  VAL GLU TYR GLN SER GLY PRO SER SER GLY                      
HET     ZN  A 201       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    ZN 2+                                                        
HELIX    1   1 VAL A  386  CYS A  398  1                                  13    
LINK        ZN    ZN A 201                 SG  CYS A 377     1555   1555  2.34  
LINK        ZN    ZN A 201                 SG  CYS A 380     1555   1555  2.33  
LINK        ZN    ZN A 201                 NE2 HIS A 393     1555   1555  2.37  
LINK        ZN    ZN A 201                 SG  CYS A 397     1555   1555  2.33  
CISPEP   1 GLY A  407    PRO A  408          1         0.10                     
CISPEP   2 GLY A  407    PRO A  408          2         0.08                     
CISPEP   3 GLY A  407    PRO A  408          3         0.05                     
CISPEP   4 GLY A  407    PRO A  408          4         0.09                     
CISPEP   5 GLY A  407    PRO A  408          5         0.05                     
CISPEP   6 GLY A  407    PRO A  408          6         0.01                     
CISPEP   7 GLY A  407    PRO A  408          7         0.00                     
CISPEP   8 GLY A  407    PRO A  408          8         0.13                     
CISPEP   9 GLY A  407    PRO A  408          9        -0.01                     
CISPEP  10 GLY A  407    PRO A  408         10         0.10                     
CISPEP  11 GLY A  407    PRO A  408         11         0.11                     
CISPEP  12 GLY A  407    PRO A  408         12         0.02                     
CISPEP  13 GLY A  407    PRO A  408         13         0.11                     
CISPEP  14 GLY A  407    PRO A  408         14         0.03                     
CISPEP  15 GLY A  407    PRO A  408         15         0.00                     
CISPEP  16 GLY A  407    PRO A  408         16         0.05                     
CISPEP  17 GLY A  407    PRO A  408         17         0.02                     
CISPEP  18 GLY A  407    PRO A  408         18         0.05                     
CISPEP  19 GLY A  407    PRO A  408         19         0.07                     
CISPEP  20 GLY A  407    PRO A  408         20         0.11                     
SITE     1 AC1  4 CYS A 377  CYS A 380  HIS A 393  CYS A 397                    
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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