GenomeNet

Database: PDB
Entry: 5Y20
LinkDB: 5Y20
Original site: 5Y20 
HEADER    TRANSCRIPTION                           22-JUL-17   5Y20              
TITLE     CRYSTAL STRUCTURE OF AL1 PHD FINGER BOUND TO H3K4ME3                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PHD FINGER PROTEIN ALFIN-LIKE 1;                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: PHD FINGER, UNP RESIDUES 185-236;                          
COMPND   5 SYNONYM: PROTEIN AL1;                                                
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: PEPTIDE FROM HISTONE H3;                                   
COMPND   9 CHAIN: P;                                                            
COMPND  10 FRAGMENT: H3 PEPTIDE 1-15;                                           
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 OTHER_DETAILS: K4 TRIMETHYLATION                                     
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS;                                    
SOURCE   4 ORGANISM_TAXID: 3702;                                                
SOURCE   5 GENE: AL1, AT5G05610, MOP10.15;                                      
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PGEX6P;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 SYNTHETIC: YES;                                                      
SOURCE  13 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  14 ORGANISM_COMMON: HUMAN;                                              
SOURCE  15 ORGANISM_TAXID: 9606;                                                
SOURCE  16 OTHER_DETAILS: CHEMICALLY SYNTHESIZED H3K4AC PEPTIDE                 
KEYWDS    ZINC FINGER, TRANSCRIPTION                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.ZHAO,B.ZHANG,H.LI                                                   
REVDAT   2   25-DEC-19 5Y20    1       JRNL                                     
REVDAT   1   24-JAN-18 5Y20    0                                                
JRNL        AUTH   S.ZHAO,B.ZHANG,M.YANG,J.ZHU,H.LI                             
JRNL        TITL   SYSTEMATIC PROFILING OF HISTONE READERS IN ARABIDOPSIS       
JRNL        TITL 2 THALIANA.                                                    
JRNL        REF    CELL REP                      V.  22  1090 2018              
JRNL        REFN                   ESSN 2211-1247                               
JRNL        PMID   29386129                                                     
JRNL        DOI    10.1016/J.CELREP.2017.12.099                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.41 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX PHENIX.REFINE: 1.9_1692                       
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT 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 : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.41                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.57                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.380                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 100.0                          
REMARK   3   NUMBER OF REFLECTIONS             : 3233                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.169                           
REMARK   3   R VALUE            (WORKING SET) : 0.161                           
REMARK   3   FREE R VALUE                     : 0.215                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 13.860                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 448                             
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 38.5726 -  3.4735    1.00      984   156  0.1517 0.2176        
REMARK   3     2  3.4735 -  2.7573    1.00      920   137  0.1751 0.1915        
REMARK   3     3  2.7573 -  2.4088    1.00      881   155  0.1672 0.2474        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.210            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.080           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 27.61                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 29.97                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
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      :  0.007            468                                  
REMARK   3   ANGLE     :  1.002            632                                  
REMARK   3   CHIRALITY :  0.041             67                                  
REMARK   3   PLANARITY :  0.005             78                                  
REMARK   3   DIHEDRAL  : 14.481            167                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
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 5Y20 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-JUL-17.                  
REMARK 100 THE DEPOSITION ID IS D_1300004543.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 18-MAR-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRF                               
REMARK 200  BEAMLINE                       : BL17U1                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9792                             
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL, SI(111)            
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315R                  
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 3265                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.400                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 26.50                              
REMARK 200  R MERGE                    (I) : 0.22100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 3.8000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.44                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 27.70                              
REMARK 200  R MERGE FOR SHELL          (I) : 0.84400                            
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: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: 2FSA                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 56.01                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.80                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M TRIS PH 8., 3.0M NACL, PH 8.5,      
REMARK 280  VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+1/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+3/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+1/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+3/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
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        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       35.08200            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       23.08400            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       23.08400            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       17.54100            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       23.08400            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       23.08400            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       52.62300            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       23.08400            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       23.08400            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       17.54100            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       23.08400            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       23.08400            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       52.62300            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       35.08200            
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: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 1100 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 4030 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -15.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, P                                  
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   NE2  GLN A    47     O    HOH A   201              2.10            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
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    VAL A  25      -61.68    -93.12                                   
REMARK 500    LYS A  46      -84.28    -82.71                                   
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                              ZN A 101  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A   7   SG                                                     
REMARK 620 2 CYS A  10   SG  107.6                                              
REMARK 620 3 HIS A  31   ND1 107.0  96.4                                        
REMARK 620 4 CYS A  34   SG  117.7 109.3 116.5                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 102  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  23   SG                                                     
REMARK 620 2 CYS A  26   SG  109.2                                              
REMARK 620 3 CYS A  50   SG  110.4 111.1                                        
REMARK 620 4 CYS A  53   SG  106.8 109.1 110.2                                  
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 101                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 102                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC3                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for Ligand residues M3L P 4 through   
REMARK 800  GLN P 5 bound to THR P 3                                            
DBREF  5Y20 A    4    55  UNP    Q9FFF5   ALFL1_ARATH    185    236             
DBREF  5Y20 P    1     7  PDB    5Y20     5Y20             1      7             
SEQRES   1 A   52  ASP THR LEU CYS GLY SER CYS GLY GLY ASN TYR THR ASN          
SEQRES   2 A   52  ASP GLU PHE TRP ILE CYS CYS ASP VAL CYS GLU ARG TRP          
SEQRES   3 A   52  TYR HIS GLY LYS CYS VAL LYS ILE THR PRO ALA LYS ALA          
SEQRES   4 A   52  GLU SER ILE LYS GLN TYR LYS CYS PRO SER CYS CYS THR          
SEQRES   1 P    7  ALA ARG THR M3L GLN THR ALA                                  
HET    M3L  P   4      12                                                       
HET     ZN  A 101       1                                                       
HET     ZN  A 102       1                                                       
HETNAM     M3L N-TRIMETHYLLYSINE                                                
HETNAM      ZN ZINC ION                                                         
FORMUL   2  M3L    C9 H21 N2 O2 1+                                              
FORMUL   3   ZN    2(ZN 2+)                                                     
FORMUL   5  HOH   *28(H2 O)                                                     
HELIX    1 AA1 GLY A   32  LYS A   36  1                                   5    
HELIX    2 AA2 THR A   38  SER A   44  1                                   7    
SHEET    1 AA1 3 TRP A  29  HIS A  31  0                                        
SHEET    2 AA1 3 TRP A  20  CYS A  22 -1  N  ILE A  21   O  TYR A  30           
SHEET    3 AA1 3 THR P   3  M3L P   4 -1  O  M3L P   4   N  TRP A  20           
LINK         SG  CYS A   7                ZN    ZN A 101     1555   1555  2.31  
LINK         SG  CYS A  10                ZN    ZN A 101     1555   1555  2.37  
LINK         SG  CYS A  23                ZN    ZN A 102     1555   1555  2.30  
LINK         SG  CYS A  26                ZN    ZN A 102     1555   1555  2.22  
LINK         ND1 HIS A  31                ZN    ZN A 101     1555   1555  2.14  
LINK         SG  CYS A  34                ZN    ZN A 101     1555   1555  2.26  
LINK         SG  CYS A  50                ZN    ZN A 102     1555   1555  2.34  
LINK         SG  CYS A  53                ZN    ZN A 102     1555   1555  2.28  
LINK         C   THR P   3                 N   M3L P   4     1555   1555  1.33  
LINK         C   M3L P   4                 N   GLN P   5     1555   1555  1.32  
SITE     1 AC1  4 CYS A   7  CYS A  10  HIS A  31  CYS A  34                    
SITE     1 AC2  4 CYS A  23  CYS A  26  CYS A  50  CYS A  53                    
SITE     1 AC3 13 THR A   5  CYS A  10  ASN A  13  TYR A  14                    
SITE     2 AC3 13 PHE A  19  TRP A  20  TRP A  29  HOH A 213                    
SITE     3 AC3 13 THR P   3  THR P   6  ALA P   7  HOH P 101                    
SITE     4 AC3 13 HOH P 104                                                     
CRYST1   46.168   46.168   70.164  90.00  90.00  90.00 P 41 21 2     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      0.021660  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.021660  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.014252        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system