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Database: PDB
Entry: 2ELI
LinkDB: 2ELI
Original site: 2ELI 
HEADER    TRANSFERASE                             27-MAR-07   2ELI              
TITLE     SOLUTION STRUCTURE OF THE SECOND PHORBOL                              
TITLE    2 ESTERS/DIACYLGLYCEROL BINDING DOMAIN OF HUMAN PROTEIN                
TITLE    3 KINASE C ALPHA TYPE                                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN KINASE C ALPHA TYPE;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: C1_1;                                                      
COMPND   5 SYNONYM: PKC-ALPHA, PKC-A;                                           
COMPND   6 EC: 2.7.11.13;                                                       
COMPND   7 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: PRKCA;                                                         
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P061225-48;                               
SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    PKC-ALPHA, PKC-A, STRUCTURAL GENOMICS, NPPSFA, NATIONAL               
KEYWDS   2 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,               
KEYWDS   3 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI,               
KEYWDS   4 TRANSFERASE                                                          
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    N.TOCHIO,S.KOSHIBA,K.SAITO,T.TOMIZAWA,S.WATANABE,T.HARADA,            
AUTHOR   2 T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS             
AUTHOR   3 INITIATIVE (RSGI)                                                    
REVDAT   2   24-FEB-09 2ELI    1       VERSN                                    
REVDAT   1   01-APR-08 2ELI    0                                                
JRNL        AUTH   N.TOCHIO,S.KOSHIBA,K.SAITO,T.TOMIZAWA,S.WATANABE,            
JRNL        AUTH 2 T.HARADA,T.KIGAWA,S.YOKOYAMA                                 
JRNL        TITL   SOLUTION STRUCTURE OF THE SECOND PHORBOL                     
JRNL        TITL 2 ESTERS/DIACYLGLYCEROL BINDING DOMAIN OF HUMAN                
JRNL        TITL 3 PROTEIN KINASE C ALPHA TYPE                                  
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 2ELI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-MAY-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB026812.                                      
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                : 1.2MM SAMPLE U-15N, 13C; 20MM      
REMARK 210                                   D-TRIS-HCL; 100MM NACL; 1MM D-     
REMARK 210                                   DTT; 0.05MM ZNCL2; 1MM IDA;        
REMARK 210                                   0.02% NAN3; 90% H2O, 10% D2O       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-SEPARATED_NOESY, 3D_        
REMARK 210                                   15N-SEPARATED_NOESY                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 900 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE2                            
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN 1.3, NMRPIPE               
REMARK 210                                   20030801, NMRVIEW 5.0.4,           
REMARK 210                                   KUJIRA 0.9820, CYANA 2.0.17        
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
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, TARGET       
REMARK 210                                   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 LYS A  17      150.34    -43.64                                   
REMARK 500  1 LYS A  19       39.23    -97.75                                   
REMARK 500  1 PRO A  28       91.28    -69.75                                   
REMARK 500  1 CYS A  31      159.98    -47.60                                   
REMARK 500  1 HIS A  33      -71.25    -77.85                                   
REMARK 500  1 LEU A  37      135.64    -37.33                                   
REMARK 500  1 ASP A  52       54.80     33.14                                   
REMARK 500  1 SER A  65      -31.50    -36.17                                   
REMARK 500  1 LEU A  66      101.60    -39.11                                   
REMARK 500  1 ASP A  70       43.20   -103.90                                   
REMARK 500  2 SER A   3       43.63     39.11                                   
REMARK 500  2 ASP A  13       66.20   -117.39                                   
REMARK 500  2 PRO A  14        0.73    -69.72                                   
REMARK 500  2 SER A  16       38.65    -92.85                                   
REMARK 500  2 PHE A  20      109.46    -46.65                                   
REMARK 500  2 PRO A  28       98.20    -69.75                                   
REMARK 500  2 CYS A  31      156.25    -47.57                                   
REMARK 500  2 HIS A  33      -71.13    -78.19                                   
REMARK 500  2 LEU A  37      132.15    -35.53                                   
REMARK 500  2 ASP A  52       54.56     39.97                                   
REMARK 500  2 MET A  69      168.32    -44.22                                   
REMARK 500  2 ASP A  70       46.67    -80.77                                   
REMARK 500  2 GLU A  83      133.83   -174.45                                   
REMARK 500  2 VAL A  84      143.99   -174.95                                   
REMARK 500  3 SER A   5      136.47    -36.36                                   
REMARK 500  3 ASP A  12      121.87   -170.50                                   
REMARK 500  3 LYS A  17      147.70    -34.71                                   
REMARK 500  3 CYS A  31      159.82    -43.26                                   
REMARK 500  3 ASP A  52       54.49     32.61                                   
REMARK 500  3 SER A  65      -28.81    -37.39                                   
REMARK 500  3 LEU A  66       94.66    -40.27                                   
REMARK 500  3 ALA A  82       43.90     33.98                                   
REMARK 500  3 VAL A  84      127.63    -34.22                                   
REMARK 500  4 ASP A  10       46.48     35.39                                   
REMARK 500  4 ASP A  12      161.16    -40.35                                   
REMARK 500  4 LYS A  19       42.84    -95.75                                   
REMARK 500  4 ILE A  22       97.04    -60.23                                   
REMARK 500  4 CYS A  31      157.71    -45.53                                   
REMARK 500  4 ASP A  52       52.36     32.64                                   
REMARK 500  4 LEU A  66      155.73    -36.97                                   
REMARK 500  5 LYS A  19       34.03    -91.90                                   
REMARK 500  5 ASP A  52       54.98     32.19                                   
REMARK 500  5 CYS A  67      162.01    -41.13                                   
REMARK 500  5 GLU A  73       47.38    -96.47                                   
REMARK 500  5 LYS A  74       46.32   -101.70                                   
REMARK 500  5 LYS A  81      -75.55   -120.36                                   
REMARK 500  5 ALA A  82      104.46    -33.88                                   
REMARK 500  6 ASP A  13       64.29   -112.79                                   
REMARK 500  6 LYS A  19       40.93   -108.08                                   
REMARK 500  6 CYS A  31      155.90    -41.30                                   
REMARK 500  6 ASP A  52       53.33     34.46                                   
REMARK 500  7 LYS A  17      142.84    -38.04                                   
REMARK 500  7 LYS A  19       36.86    -98.88                                   
REMARK 500  7 PRO A  28       98.23    -69.73                                   
REMARK 500  7 TYR A  39     -174.03    -69.52                                   
REMARK 500  7 ASP A  52       53.16     33.99                                   
REMARK 500  7 SER A  65      -28.56    -37.88                                   
REMARK 500  7 LEU A  66       95.66    -38.63                                   
REMARK 500  7 GLU A  73      116.77   -173.19                                   
REMARK 500  7 GLU A  83      114.70   -168.58                                   
REMARK 500  8 SER A   6      -60.65   -105.27                                   
REMARK 500  8 PRO A   9       91.09    -69.72                                   
REMARK 500  8 LYS A  17      163.56    -42.97                                   
REMARK 500  8 LYS A  19       37.58    -91.63                                   
REMARK 500  8 PRO A  28       98.04    -69.78                                   
REMARK 500  8 CYS A  31      160.15    -45.57                                   
REMARK 500  8 SER A  36      150.22    -40.39                                   
REMARK 500  8 SER A  65       38.23    -81.61                                   
REMARK 500  8 GLU A  73       53.71   -115.12                                   
REMARK 500  8 LYS A  74       46.26    -85.71                                   
REMARK 500  8 ARG A  77      143.83    -34.90                                   
REMARK 500  9 LYS A  17      158.92    -39.80                                   
REMARK 500  9 PRO A  28       97.79    -69.77                                   
REMARK 500  9 GLN A  44      -74.24    -62.56                                   
REMARK 500  9 ASP A  52       54.94     32.12                                   
REMARK 500  9 VAL A  63      130.72    -38.05                                   
REMARK 500  9 LYS A  74       45.75   -100.65                                   
REMARK 500  9 LEU A  80       32.24    -84.38                                   
REMARK 500  9 LYS A  81       90.54    -64.83                                   
REMARK 500 10 SER A   6      171.65    -58.78                                   
REMARK 500 10 ASP A  12      -65.41   -108.40                                   
REMARK 500 10 LYS A  19       40.24    -98.17                                   
REMARK 500 10 ILE A  22      108.18    -59.24                                   
REMARK 500 10 PRO A  28       99.43    -69.68                                   
REMARK 500 10 CYS A  31      157.64    -42.90                                   
REMARK 500 10 LEU A  37      124.32    -39.42                                   
REMARK 500 10 ASP A  52       54.57     34.31                                   
REMARK 500 10 SER A  65       37.28    -82.75                                   
REMARK 500 10 ARG A  75       96.06    -68.16                                   
REMARK 500 10 LEU A  80      107.77    -51.34                                   
REMARK 500 11 SER A   5      128.45   -170.50                                   
REMARK 500 11 ASP A  12      158.23    -39.67                                   
REMARK 500 11 PRO A  14        2.19    -69.66                                   
REMARK 500 11 LYS A  17      158.17    -40.72                                   
REMARK 500 11 ILE A  22       99.53    -64.26                                   
REMARK 500 11 CYS A  31      160.16    -41.05                                   
REMARK 500 11 HIS A  33      -73.69    -81.24                                   
REMARK 500 11 ASP A  52       54.22     33.08                                   
REMARK 500 11 HIS A  56      153.59    -43.31                                   
REMARK 500 11 SER A  65      -37.82    -33.71                                   
REMARK 500 11 ARG A  75       45.04     32.54                                   
REMARK 500 11 ARG A  77      144.63   -171.85                                   
REMARK 500 12 ILE A  22      107.35    -57.53                                   
REMARK 500 12 ASP A  52       42.17     33.06                                   
REMARK 500 12 LEU A  66      152.93    -46.76                                   
REMARK 500 12 MET A  69      136.26   -175.09                                   
REMARK 500 12 ASP A  70      129.46   -173.72                                   
REMARK 500 12 TYR A  79       44.53   -104.14                                   
REMARK 500 12 LEU A  80       43.21     37.33                                   
REMARK 500 12 VAL A  84       35.50     37.40                                   
REMARK 500 13 SER A   6       41.68     38.78                                   
REMARK 500 13 PRO A  14        0.84    -69.83                                   
REMARK 500 13 LYS A  17      153.25    -36.91                                   
REMARK 500 13 PRO A  28       97.58    -69.75                                   
REMARK 500 13 ASP A  52       54.88     33.92                                   
REMARK 500 13 HIS A  56      175.04    -46.97                                   
REMARK 500 13 SER A  65      -27.66    -39.07                                   
REMARK 500 13 LEU A  66       94.37    -38.64                                   
REMARK 500 13 ARG A  77      147.30   -172.15                                   
REMARK 500 13 LYS A  81      174.54    -49.83                                   
REMARK 500 13 ALA A  82       96.22    -57.78                                   
REMARK 500 14 SER A   6      179.61    -49.61                                   
REMARK 500 14 LYS A  17      151.23    -44.47                                   
REMARK 500 14 PRO A  28       99.10    -69.83                                   
REMARK 500 14 CYS A  31      160.01    -43.56                                   
REMARK 500 14 ASP A  52       52.39     29.53                                   
REMARK 500 14 LEU A  66      157.61    -42.22                                   
REMARK 500 14 MET A  69      -38.54   -134.77                                   
REMARK 500 14 GLU A  83       79.42   -109.18                                   
REMARK 500 15 PRO A   9     -177.77    -69.73                                   
REMARK 500 15 LYS A  17      152.16    -35.18                                   
REMARK 500 15 LYS A  19       35.47    -86.73                                   
REMARK 500 15 CYS A  31      156.78    -41.85                                   
REMARK 500 15 HIS A  33      -72.28    -72.60                                   
REMARK 500 15 ASP A  52       54.97     38.47                                   
REMARK 500 15 SER A  65       70.27    -68.54                                   
REMARK 500 15 MET A  69       42.82    -87.33                                   
REMARK 500 15 ARG A  75      139.41    -34.79                                   
REMARK 500 16 SER A   3       42.10     34.87                                   
REMARK 500 16 THR A  11       39.58    -86.19                                   
REMARK 500 16 LYS A  19       70.49   -105.41                                   
REMARK 500 16 CYS A  31      158.81    -49.02                                   
REMARK 500 16 ASP A  52       46.30     33.12                                   
REMARK 500 16 LEU A  66      159.02    -45.63                                   
REMARK 500 17 SER A   6       51.84    -97.05                                   
REMARK 500 17 LYS A  17      159.32    -45.47                                   
REMARK 500 17 PHE A  20      108.42    -54.36                                   
REMARK 500 17 ASP A  52       53.15     32.03                                   
REMARK 500 17 LEU A  66      159.02    -42.15                                   
REMARK 500 17 MET A  69      126.42   -173.00                                   
REMARK 500 17 ASP A  70       31.82    -93.42                                   
REMARK 500 17 LYS A  74       53.76     33.94                                   
REMARK 500 17 ARG A  77      170.06    -44.75                                   
REMARK 500 18 SER A   3      107.24    -46.56                                   
REMARK 500 18 ASP A  12      178.87    -51.22                                   
REMARK 500 18 LYS A  19       49.53    -97.12                                   
REMARK 500 18 ILE A  22      108.61    -57.67                                   
REMARK 500 18 CYS A  31      160.23    -43.75                                   
REMARK 500 18 LEU A  80      137.93   -174.66                                   
REMARK 500 18 ALA A  82      105.29   -174.09                                   
REMARK 500 19 SER A   6      127.07   -173.63                                   
REMARK 500 19 THR A  11       44.42    -84.47                                   
REMARK 500 19 LYS A  17      151.63    -42.00                                   
REMARK 500 19 LYS A  19       31.27    -99.26                                   
REMARK 500 19 ILE A  22      105.76    -57.35                                   
REMARK 500 19 PRO A  28       99.67    -69.72                                   
REMARK 500 19 ASP A  52       54.22     35.11                                   
REMARK 500 19 GLU A  73       44.75     71.75                                   
REMARK 500 19 VAL A  84       39.65    -87.63                                   
REMARK 500 20 LYS A  17      143.39    -33.74                                   
REMARK 500 20 LYS A  19       33.01    -87.49                                   
REMARK 500 20 PRO A  28       93.16    -69.79                                   
REMARK 500 20 CYS A  31      160.13    -47.73                                   
REMARK 500 20 ASP A  52       54.95     30.92                                   
REMARK 500 20 SER A  65      -26.81    -37.78                                   
REMARK 500 20 LEU A  66      106.21    -43.91                                   
REMARK 500 20 HIS A  71       91.75    -66.44                                   
REMARK 500 20 GLU A  73       44.06    -85.34                                   
REMARK 500 20 ALA A  82       47.78     74.49                                   
REMARK 500 20 GLU A  83     -179.14    -66.18                                   
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 HIS A  18   ND1                                                    
REMARK 620 2 CYS A  48   SG  111.7                                              
REMARK 620 3 CYS A  51   SG  114.9  99.3                                        
REMARK 620 4 CYS A  67   SG  102.9 116.6 112.1                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1  ZN A 401  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  31   SG                                                     
REMARK 620 2 CYS A  34   SG  102.2                                              
REMARK 620 3 HIS A  56   ND1  95.8  97.3                                        
REMARK 620 4 CYS A  59   SG  119.6 119.5 117.7                                  
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 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 401                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSO002102639.1   RELATED DB: TARGETDB                    
DBREF  2ELI A    9    85  UNP    P17252   KPCA_HUMAN      93    169             
SEQADV 2ELI GLY A    1  UNP  P17252              EXPRESSION TAG                 
SEQADV 2ELI SER A    2  UNP  P17252              EXPRESSION TAG                 
SEQADV 2ELI SER A    3  UNP  P17252              EXPRESSION TAG                 
SEQADV 2ELI GLY A    4  UNP  P17252              EXPRESSION TAG                 
SEQADV 2ELI SER A    5  UNP  P17252              EXPRESSION TAG                 
SEQADV 2ELI SER A    6  UNP  P17252              EXPRESSION TAG                 
SEQADV 2ELI GLY A    7  UNP  P17252              EXPRESSION TAG                 
SEQADV 2ELI GLY A    8  UNP  P17252              EXPRESSION TAG                 
SEQRES   1 A   85  GLY SER SER GLY SER SER GLY GLY PRO ASP THR ASP ASP          
SEQRES   2 A   85  PRO ARG SER LYS HIS LYS PHE LYS ILE HIS THR TYR GLY          
SEQRES   3 A   85  SER PRO THR PHE CYS ASP HIS CYS GLY SER LEU LEU TYR          
SEQRES   4 A   85  GLY LEU ILE HIS GLN GLY MET LYS CYS ASP THR CYS ASP          
SEQRES   5 A   85  MET ASN VAL HIS LYS GLN CYS VAL ILE ASN VAL PRO SER          
SEQRES   6 A   85  LEU CYS GLY MET ASP HIS THR GLU LYS ARG GLY ARG ILE          
SEQRES   7 A   85  TYR LEU LYS ALA GLU VAL ALA                                  
HET     ZN  A 201       1                                                       
HET     ZN  A 401       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    2(ZN 2+)                                                     
SHEET    1   A 3 LYS A  21  HIS A  23  0                                        
SHEET    2   A 3 GLY A  45  LYS A  47 -1  O  LYS A  47   N  LYS A  21           
SHEET    3   A 3 ASN A  54  HIS A  56 -1  O  VAL A  55   N  MET A  46           
LINK         ND1 HIS A  18                ZN    ZN A 201     1555   1555  2.10  
LINK         SG  CYS A  31                ZN    ZN A 401     1555   1555  2.39  
LINK         SG  CYS A  34                ZN    ZN A 401     1555   1555  2.35  
LINK         SG  CYS A  48                ZN    ZN A 201     1555   1555  2.35  
LINK         SG  CYS A  51                ZN    ZN A 201     1555   1555  2.31  
LINK         ND1 HIS A  56                ZN    ZN A 401     1555   1555  2.08  
LINK         SG  CYS A  59                ZN    ZN A 401     1555   1555  2.19  
LINK         SG  CYS A  67                ZN    ZN A 201     1555   1555  2.21  
SITE     1 AC1  5 HIS A  18  LYS A  19  PHE A  20  CYS A  48                    
SITE     2 AC1  5 CYS A  51                                                     
SITE     1 AC2  3 CYS A  31  CYS A  34  HIS A  56                               
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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