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Database: PDB
Entry: 6EDB
LinkDB: 6EDB
Original site: 6EDB 
HEADER    TRANSFERASE/DNA                         09-AUG-18   6EDB              
TITLE     CRYSTAL STRUCTURE OF SRY.HCGAS-21BP DSDNA COMPLEX                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SEX-DETERMINING REGION Y PROTEIN,CYCLIC GMP-AMP SYNTHASE;  
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 SYNONYM: TESTIS-DETERMINING FACTOR,H-CGAS,2'3'-CGAMP SYNTHASE,MAB-21 
COMPND   5 DOMAIN-CONTAINING PROTEIN 1;                                         
COMPND   6 EC: 2.7.7.86;                                                        
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: DNA (5'-                                                   
COMPND  10 D(*CP*GP*AP*TP*CP*CP*GP*GP*GP*AP*TP*CP*TP*AP*AP*AP*CP*AP*AP*TP*G)-   
COMPND  11 3');                                                                 
COMPND  12 CHAIN: C;                                                            
COMPND  13 ENGINEERED: YES;                                                     
COMPND  14 MOL_ID: 3;                                                           
COMPND  15 MOLECULE: DNA (5'-                                                   
COMPND  16 D(*GP*CP*AP*TP*TP*GP*TP*TP*TP*AP*GP*AP*TP*CP*CP*CP*GP*GP*AP*TP*C)-   
COMPND  17 3');                                                                 
COMPND  18 CHAIN: D;                                                            
COMPND  19 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: SRY, TDF, CGAS, C6ORF150, MB21D1;                              
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 MOL_ID: 3;                                                           
SOURCE  13 SYNTHETIC: YES;                                                      
SOURCE  14 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  15 ORGANISM_TAXID: 9606                                                 
KEYWDS    SRY HUMAN CGAS DNA COMPLEX, TRANSFERASE-DNA COMPLEX                   
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    W.XIE,L.LAMA,C.ADURA,J.F.GLICKMAN,T.TUSCHL,D.J.PATEL                  
REVDAT   3   26-JUN-19 6EDB    1       JRNL                                     
REVDAT   2   12-JUN-19 6EDB    1       JRNL                                     
REVDAT   1   29-MAY-19 6EDB    0                                                
JRNL        AUTH   W.XIE,L.LAMA,C.ADURA,D.TOMITA,J.F.GLICKMAN,T.TUSCHL,         
JRNL        AUTH 2 D.J.PATEL                                                    
JRNL        TITL   HUMAN CGAS CATALYTIC DOMAIN HAS AN ADDITIONAL DNA-BINDING    
JRNL        TITL 2 INTERFACE THAT ENHANCES ENZYMATIC ACTIVITY AND LIQUID-PHASE  
JRNL        TITL 3 CONDENSATION.                                                
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 116 11946 2019              
JRNL        REFN                   ESSN 1091-6490                               
JRNL        PMID   31142647                                                     
JRNL        DOI    10.1073/PNAS.1905013116                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.21 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.10.1_2155: ???)                            
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) : 3.21                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.01                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.360                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 90.3                           
REMARK   3   NUMBER OF REFLECTIONS             : 12629                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.260                           
REMARK   3   R VALUE            (WORKING SET) : 0.255                           
REMARK   3   FREE R VALUE                     : 0.302                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 1263                            
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 30.0089 -  6.6541    1.00     1481   165  0.2032 0.2489        
REMARK   3     2  6.6541 -  5.2910    1.00     1417   157  0.2969 0.3542        
REMARK   3     3  5.2910 -  4.6250    1.00     1401   156  0.2635 0.3112        
REMARK   3     4  4.6250 -  4.2033    1.00     1392   154  0.2804 0.3200        
REMARK   3     5  4.2033 -  3.9027    0.99     1367   152  0.2892 0.3254        
REMARK   3     6  3.9027 -  3.6731    0.92     1273   143  0.3126 0.3755        
REMARK   3     7  3.6731 -  3.4894    0.84     1144   126  0.3352 0.3410        
REMARK   3     8  3.4894 -  3.3377    0.76     1043   116  0.3199 0.3587        
REMARK   3     9  3.3377 -  3.2094    0.62      848    94  0.3203 0.3646        
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)     : 0.450            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 37.930           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
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      :  0.019           4586                                  
REMARK   3   ANGLE     :  0.568           6331                                  
REMARK   3   CHIRALITY :  0.037            679                                  
REMARK   3   PLANARITY :  0.003            661                                  
REMARK   3   DIHEDRAL  : 21.623           2653                                  
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 6EDB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-AUG-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000236108.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 05-APR-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
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                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS 6M-F               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 12639                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 3.200                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.008                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 60.4                               
REMARK 200  DATA REDUNDANCY                : 5.400                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 13.4000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.20                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 3.32                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
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: 4K96                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 28.48                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.72                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M L-PROLINE, 0.1 M HEPES, PH 7.5,    
REMARK 280  8% PEG3350 (V/V), 10 MM MGCL2, VAPOR DIFFUSION, HANGING DROP,       
REMARK 280  TEMPERATURE 293K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-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        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       45.15350            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       57.91350            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       79.53850            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       45.15350            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       57.91350            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       79.53850            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       45.15350            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       57.91350            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       79.53850            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       45.15350            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       57.91350            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       79.53850            
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: TETRAMERIC                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D                            
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     SER A    68                                                      
REMARK 465     VAL A    69                                                      
REMARK 465     GLN A    70                                                      
REMARK 465     ASP A    71                                                      
REMARK 465     ARG A    72                                                      
REMARK 465     VAL A    73                                                      
REMARK 465     LYS A    74                                                      
REMARK 465     ARG A    75                                                      
REMARK 465     PRO A    76                                                      
REMARK 465     MET A    77                                                      
REMARK 465     ASN A    78                                                      
REMARK 465     ALA A    79                                                      
REMARK 465     PHE A    80                                                      
REMARK 465     ILE A    81                                                      
REMARK 465     VAL A    82                                                      
REMARK 465     TRP A    83                                                      
REMARK 465     SER A    84                                                      
REMARK 465     ARG A    85                                                      
REMARK 465     ASP A    86                                                      
REMARK 465     GLN A    87                                                      
REMARK 465     ARG A    88                                                      
REMARK 465     ARG A    89                                                      
REMARK 465     LYS A    90                                                      
REMARK 465     MET A    91                                                      
REMARK 465     ALA A    92                                                      
REMARK 465     LEU A    93                                                      
REMARK 465     GLU A    94                                                      
REMARK 465     ASN A    95                                                      
REMARK 465     PRO A    96                                                      
REMARK 465     ARG A    97                                                      
REMARK 465     MET A    98                                                      
REMARK 465     ARG A    99                                                      
REMARK 465     ASN A   100                                                      
REMARK 465     SER A   101                                                      
REMARK 465     GLU A   102                                                      
REMARK 465     ILE A   103                                                      
REMARK 465     SER A   104                                                      
REMARK 465     LYS A   105                                                      
REMARK 465     GLN A   106                                                      
REMARK 465     LEU A   107                                                      
REMARK 465     GLY A   108                                                      
REMARK 465     TYR A   109                                                      
REMARK 465     GLN A   110                                                      
REMARK 465     TRP A   111                                                      
REMARK 465     LYS A   112                                                      
REMARK 465     MET A   113                                                      
REMARK 465     LEU A   114                                                      
REMARK 465     THR A   115                                                      
REMARK 465     GLU A   116                                                      
REMARK 465     ALA A   117                                                      
REMARK 465     GLU A   118                                                      
REMARK 465     LYS A   119                                                      
REMARK 465     TRP A   120                                                      
REMARK 465     PRO A   121                                                      
REMARK 465     PHE A   122                                                      
REMARK 465     PHE A   123                                                      
REMARK 465     GLN A   124                                                      
REMARK 465     GLU A   125                                                      
REMARK 465     ALA A   126                                                      
REMARK 465     GLN A   127                                                      
REMARK 465     LYS A   128                                                      
REMARK 465     LEU A   129                                                      
REMARK 465     GLN A   130                                                      
REMARK 465     ALA A   131                                                      
REMARK 465     MET A   132                                                      
REMARK 465     HIS A   133                                                      
REMARK 465     ARG A   134                                                      
REMARK 465     GLU A   135                                                      
REMARK 465     LYS A   136                                                      
REMARK 465     TYR A   137                                                      
REMARK 465     PRO A   138                                                      
REMARK 465     ASN A   139                                                      
REMARK 465     TYR A   140                                                      
REMARK 465     LYS A   141                                                      
REMARK 465     TYR A   142                                                      
REMARK 465     ARG A   143                                                      
REMARK 465     LYS A   144                                                      
REMARK 465     GLY A   145                                                      
REMARK 465     GLU A   146                                                      
REMARK 465     THR A   147                                                      
REMARK 465     LYS A   148                                                      
REMARK 465     LYS A   149                                                      
REMARK 465     LYS A   150                                                      
REMARK 465     PHE A   151                                                      
REMARK 465     LYS A   152                                                      
REMARK 465     ASP A   153                                                      
REMARK 465     PRO A   154                                                      
REMARK 465     ASN A   155                                                      
REMARK 465     ALA A   156                                                      
REMARK 465     ASP A   157                                                      
REMARK 465     ALA A   158                                                      
REMARK 465     ALA A   159                                                      
REMARK 465     PRO A   160                                                      
REMARK 465     GLY A   161                                                      
REMARK 465     ALA A   162                                                      
REMARK 465     SER A   163                                                      
REMARK 465     GLU A   521                                                      
REMARK 465     PHE A   522                                                      
REMARK 465     SER B     0                                                      
REMARK 465     VAL B     1                                                      
REMARK 465     GLN B     2                                                      
REMARK 465     ASP B     3                                                      
REMARK 465     ARG B     4                                                      
REMARK 465     VAL B     5                                                      
REMARK 465     LYS B    73                                                      
REMARK 465     TYR B    74                                                      
REMARK 465     ARG B    75                                                      
REMARK 465     LYS B    76                                                      
REMARK 465     GLY B    77                                                      
REMARK 465     GLU B    78                                                      
REMARK 465     THR B    79                                                      
REMARK 465     LYS B    80                                                      
REMARK 465     LYS B    81                                                      
REMARK 465     LYS B    82                                                      
REMARK 465     PHE B    83                                                      
REMARK 465     LYS B    84                                                      
REMARK 465     ASP B    85                                                      
REMARK 465     PRO B    86                                                      
REMARK 465     ASN B    87                                                      
REMARK 465     ALA B    88                                                      
REMARK 465     ASP B    89                                                      
REMARK 465     ALA B    90                                                      
REMARK 465     ALA B    91                                                      
REMARK 465     PRO B    92                                                      
REMARK 465     GLY B    93                                                      
REMARK 465     ALA B    94                                                      
REMARK 465     SER B    95                                                      
REMARK 465     LYS B    96                                                      
REMARK 465     LEU B    97                                                      
REMARK 465     ARG B    98                                                      
REMARK 465     ALA B    99                                                      
REMARK 465     VAL B   100                                                      
REMARK 465     LEU B   101                                                      
REMARK 465     GLU B   102                                                      
REMARK 465     LYS B   103                                                      
REMARK 465     LEU B   104                                                      
REMARK 465     LYS B   105                                                      
REMARK 465     LEU B   106                                                      
REMARK 465     SER B   107                                                      
REMARK 465     ARG B   108                                                      
REMARK 465     ASP B   109                                                      
REMARK 465     ASP B   110                                                      
REMARK 465     ILE B   111                                                      
REMARK 465     SER B   112                                                      
REMARK 465     THR B   113                                                      
REMARK 465     ALA B   114                                                      
REMARK 465     ALA B   115                                                      
REMARK 465     GLY B   116                                                      
REMARK 465     MET B   117                                                      
REMARK 465     VAL B   118                                                      
REMARK 465     LYS B   119                                                      
REMARK 465     GLY B   120                                                      
REMARK 465     VAL B   121                                                      
REMARK 465     VAL B   122                                                      
REMARK 465     ASP B   123                                                      
REMARK 465     HIS B   124                                                      
REMARK 465     LEU B   125                                                      
REMARK 465     LEU B   126                                                      
REMARK 465     LEU B   127                                                      
REMARK 465     ARG B   128                                                      
REMARK 465     LEU B   129                                                      
REMARK 465     LYS B   130                                                      
REMARK 465     CYS B   131                                                      
REMARK 465     ASP B   132                                                      
REMARK 465     SER B   133                                                      
REMARK 465     ALA B   134                                                      
REMARK 465     PHE B   135                                                      
REMARK 465     ARG B   136                                                      
REMARK 465     GLY B   137                                                      
REMARK 465     VAL B   138                                                      
REMARK 465     GLY B   139                                                      
REMARK 465     LEU B   140                                                      
REMARK 465     LEU B   141                                                      
REMARK 465     ASN B   142                                                      
REMARK 465     THR B   143                                                      
REMARK 465     GLY B   144                                                      
REMARK 465     SER B   145                                                      
REMARK 465     TYR B   146                                                      
REMARK 465     TYR B   147                                                      
REMARK 465     GLU B   148                                                      
REMARK 465     HIS B   149                                                      
REMARK 465     VAL B   150                                                      
REMARK 465     LYS B   151                                                      
REMARK 465     ILE B   152                                                      
REMARK 465     SER B   153                                                      
REMARK 465     ALA B   154                                                      
REMARK 465     PRO B   155                                                      
REMARK 465     ASN B   156                                                      
REMARK 465     GLU B   157                                                      
REMARK 465     PHE B   158                                                      
REMARK 465     ASP B   159                                                      
REMARK 465     VAL B   160                                                      
REMARK 465     MET B   161                                                      
REMARK 465     PHE B   162                                                      
REMARK 465     LYS B   163                                                      
REMARK 465     LEU B   164                                                      
REMARK 465     GLU B   165                                                      
REMARK 465     VAL B   166                                                      
REMARK 465     PRO B   167                                                      
REMARK 465     ARG B   168                                                      
REMARK 465     ILE B   169                                                      
REMARK 465     GLN B   170                                                      
REMARK 465     LEU B   171                                                      
REMARK 465     GLU B   172                                                      
REMARK 465     GLU B   173                                                      
REMARK 465     TYR B   174                                                      
REMARK 465     SER B   175                                                      
REMARK 465     ASN B   176                                                      
REMARK 465     THR B   177                                                      
REMARK 465     ARG B   178                                                      
REMARK 465     ALA B   179                                                      
REMARK 465     TYR B   180                                                      
REMARK 465     TYR B   181                                                      
REMARK 465     PHE B   182                                                      
REMARK 465     VAL B   183                                                      
REMARK 465     LYS B   184                                                      
REMARK 465     PHE B   185                                                      
REMARK 465     LYS B   186                                                      
REMARK 465     ARG B   187                                                      
REMARK 465     ASN B   188                                                      
REMARK 465     PRO B   189                                                      
REMARK 465     LYS B   190                                                      
REMARK 465     GLU B   191                                                      
REMARK 465     ASN B   192                                                      
REMARK 465     PRO B   193                                                      
REMARK 465     LEU B   194                                                      
REMARK 465     SER B   195                                                      
REMARK 465     GLN B   196                                                      
REMARK 465     PHE B   197                                                      
REMARK 465     LEU B   198                                                      
REMARK 465     GLU B   199                                                      
REMARK 465     GLY B   200                                                      
REMARK 465     GLU B   201                                                      
REMARK 465     ILE B   202                                                      
REMARK 465     LEU B   203                                                      
REMARK 465     SER B   204                                                      
REMARK 465     ALA B   205                                                      
REMARK 465     SER B   206                                                      
REMARK 465     LYS B   207                                                      
REMARK 465     MET B   208                                                      
REMARK 465     LEU B   209                                                      
REMARK 465     SER B   210                                                      
REMARK 465     LYS B   211                                                      
REMARK 465     PHE B   212                                                      
REMARK 465     ARG B   213                                                      
REMARK 465     LYS B   214                                                      
REMARK 465     ILE B   215                                                      
REMARK 465     ILE B   216                                                      
REMARK 465     LYS B   217                                                      
REMARK 465     GLU B   218                                                      
REMARK 465     GLU B   219                                                      
REMARK 465     ILE B   220                                                      
REMARK 465     ASN B   221                                                      
REMARK 465     ASP B   222                                                      
REMARK 465     ILE B   223                                                      
REMARK 465     LYS B   224                                                      
REMARK 465     ASP B   225                                                      
REMARK 465     THR B   226                                                      
REMARK 465     ASP B   227                                                      
REMARK 465     VAL B   228                                                      
REMARK 465     ILE B   229                                                      
REMARK 465     MET B   230                                                      
REMARK 465     LYS B   231                                                      
REMARK 465     ARG B   232                                                      
REMARK 465     LYS B   233                                                      
REMARK 465     ARG B   234                                                      
REMARK 465     GLY B   235                                                      
REMARK 465     GLY B   236                                                      
REMARK 465     SER B   237                                                      
REMARK 465     PRO B   238                                                      
REMARK 465     ALA B   239                                                      
REMARK 465     VAL B   240                                                      
REMARK 465     THR B   241                                                      
REMARK 465     LEU B   242                                                      
REMARK 465     LEU B   243                                                      
REMARK 465     ILE B   244                                                      
REMARK 465     SER B   245                                                      
REMARK 465     GLU B   246                                                      
REMARK 465     LYS B   247                                                      
REMARK 465     ILE B   248                                                      
REMARK 465     SER B   249                                                      
REMARK 465     VAL B   250                                                      
REMARK 465     ASP B   251                                                      
REMARK 465     ILE B   252                                                      
REMARK 465     THR B   253                                                      
REMARK 465     LEU B   254                                                      
REMARK 465     ALA B   255                                                      
REMARK 465     LEU B   256                                                      
REMARK 465     GLU B   257                                                      
REMARK 465     SER B   258                                                      
REMARK 465     LYS B   259                                                      
REMARK 465     SER B   260                                                      
REMARK 465     SER B   261                                                      
REMARK 465     TRP B   262                                                      
REMARK 465     PRO B   263                                                      
REMARK 465     ALA B   264                                                      
REMARK 465     SER B   265                                                      
REMARK 465     THR B   266                                                      
REMARK 465     GLN B   267                                                      
REMARK 465     GLU B   268                                                      
REMARK 465     GLY B   269                                                      
REMARK 465     LEU B   270                                                      
REMARK 465     ARG B   271                                                      
REMARK 465     ILE B   272                                                      
REMARK 465     GLN B   273                                                      
REMARK 465     ASN B   274                                                      
REMARK 465     TRP B   275                                                      
REMARK 465     LEU B   276                                                      
REMARK 465     SER B   277                                                      
REMARK 465     ALA B   278                                                      
REMARK 465     LYS B   279                                                      
REMARK 465     VAL B   280                                                      
REMARK 465     ARG B   281                                                      
REMARK 465     LYS B   282                                                      
REMARK 465     GLN B   283                                                      
REMARK 465     LEU B   284                                                      
REMARK 465     ARG B   285                                                      
REMARK 465     LEU B   286                                                      
REMARK 465     LYS B   287                                                      
REMARK 465     PRO B   288                                                      
REMARK 465     PHE B   289                                                      
REMARK 465     TYR B   290                                                      
REMARK 465     LEU B   291                                                      
REMARK 465     VAL B   292                                                      
REMARK 465     PRO B   293                                                      
REMARK 465     LYS B   294                                                      
REMARK 465     HIS B   295                                                      
REMARK 465     ALA B   296                                                      
REMARK 465     LYS B   297                                                      
REMARK 465     GLU B   298                                                      
REMARK 465     GLY B   299                                                      
REMARK 465     ASN B   300                                                      
REMARK 465     GLY B   301                                                      
REMARK 465     PHE B   302                                                      
REMARK 465     GLN B   303                                                      
REMARK 465     GLU B   304                                                      
REMARK 465     GLU B   305                                                      
REMARK 465     THR B   306                                                      
REMARK 465     TRP B   307                                                      
REMARK 465     ARG B   308                                                      
REMARK 465     LEU B   309                                                      
REMARK 465     SER B   310                                                      
REMARK 465     PHE B   311                                                      
REMARK 465     SER B   312                                                      
REMARK 465     HIS B   313                                                      
REMARK 465     ILE B   314                                                      
REMARK 465     GLU B   315                                                      
REMARK 465     LYS B   316                                                      
REMARK 465     GLU B   317                                                      
REMARK 465     ILE B   318                                                      
REMARK 465     LEU B   319                                                      
REMARK 465     ASN B   320                                                      
REMARK 465     ASN B   321                                                      
REMARK 465     HIS B   322                                                      
REMARK 465     GLY B   323                                                      
REMARK 465     LYS B   324                                                      
REMARK 465     SER B   325                                                      
REMARK 465     LYS B   326                                                      
REMARK 465     THR B   327                                                      
REMARK 465     CYS B   328                                                      
REMARK 465     CYS B   329                                                      
REMARK 465     GLU B   330                                                      
REMARK 465     ASN B   331                                                      
REMARK 465     LYS B   332                                                      
REMARK 465     GLU B   333                                                      
REMARK 465     GLU B   334                                                      
REMARK 465     LYS B   335                                                      
REMARK 465     CYS B   336                                                      
REMARK 465     CYS B   337                                                      
REMARK 465     ARG B   338                                                      
REMARK 465     LYS B   339                                                      
REMARK 465     ASP B   340                                                      
REMARK 465     CYS B   341                                                      
REMARK 465     LEU B   342                                                      
REMARK 465     LYS B   343                                                      
REMARK 465     LEU B   344                                                      
REMARK 465     MET B   345                                                      
REMARK 465     LYS B   346                                                      
REMARK 465     TYR B   347                                                      
REMARK 465     LEU B   348                                                      
REMARK 465     LEU B   349                                                      
REMARK 465     GLU B   350                                                      
REMARK 465     GLN B   351                                                      
REMARK 465     LEU B   352                                                      
REMARK 465     LYS B   353                                                      
REMARK 465     GLU B   354                                                      
REMARK 465     ARG B   355                                                      
REMARK 465     PHE B   356                                                      
REMARK 465     LYS B   357                                                      
REMARK 465     ASP B   358                                                      
REMARK 465     LYS B   359                                                      
REMARK 465     LYS B   360                                                      
REMARK 465     HIS B   361                                                      
REMARK 465     LEU B   362                                                      
REMARK 465     ASP B   363                                                      
REMARK 465     LYS B   364                                                      
REMARK 465     PHE B   365                                                      
REMARK 465     SER B   366                                                      
REMARK 465     SER B   367                                                      
REMARK 465     TYR B   368                                                      
REMARK 465     HIS B   369                                                      
REMARK 465     VAL B   370                                                      
REMARK 465     LYS B   371                                                      
REMARK 465     THR B   372                                                      
REMARK 465     ALA B   373                                                      
REMARK 465     PHE B   374                                                      
REMARK 465     PHE B   375                                                      
REMARK 465     HIS B   376                                                      
REMARK 465     VAL B   377                                                      
REMARK 465     CYS B   378                                                      
REMARK 465     THR B   379                                                      
REMARK 465     GLN B   380                                                      
REMARK 465     ASN B   381                                                      
REMARK 465     PRO B   382                                                      
REMARK 465     GLN B   383                                                      
REMARK 465     ASP B   384                                                      
REMARK 465     SER B   385                                                      
REMARK 465     GLN B   386                                                      
REMARK 465     TRP B   387                                                      
REMARK 465     ASP B   388                                                      
REMARK 465     ARG B   389                                                      
REMARK 465     LYS B   390                                                      
REMARK 465     ASP B   391                                                      
REMARK 465     LEU B   392                                                      
REMARK 465     GLY B   393                                                      
REMARK 465     LEU B   394                                                      
REMARK 465     CYS B   395                                                      
REMARK 465     PHE B   396                                                      
REMARK 465     ASP B   397                                                      
REMARK 465     ASN B   398                                                      
REMARK 465     CYS B   399                                                      
REMARK 465     VAL B   400                                                      
REMARK 465     THR B   401                                                      
REMARK 465     TYR B   402                                                      
REMARK 465     PHE B   403                                                      
REMARK 465     LEU B   404                                                      
REMARK 465     GLN B   405                                                      
REMARK 465     CYS B   406                                                      
REMARK 465     LEU B   407                                                      
REMARK 465     ARG B   408                                                      
REMARK 465     THR B   409                                                      
REMARK 465     GLU B   410                                                      
REMARK 465     LYS B   411                                                      
REMARK 465     LEU B   412                                                      
REMARK 465     GLU B   413                                                      
REMARK 465     ASN B   414                                                      
REMARK 465     TYR B   415                                                      
REMARK 465     PHE B   416                                                      
REMARK 465     ILE B   417                                                      
REMARK 465     PRO B   418                                                      
REMARK 465     GLU B   419                                                      
REMARK 465     PHE B   420                                                      
REMARK 465     ASN B   421                                                      
REMARK 465     LEU B   422                                                      
REMARK 465     PHE B   423                                                      
REMARK 465     SER B   424                                                      
REMARK 465     SER B   425                                                      
REMARK 465     ASN B   426                                                      
REMARK 465     LEU B   427                                                      
REMARK 465     ILE B   428                                                      
REMARK 465     ASP B   429                                                      
REMARK 465     LYS B   430                                                      
REMARK 465     ARG B   431                                                      
REMARK 465     SER B   432                                                      
REMARK 465     LYS B   433                                                      
REMARK 465     GLU B   434                                                      
REMARK 465     PHE B   435                                                      
REMARK 465     LEU B   436                                                      
REMARK 465     THR B   437                                                      
REMARK 465     LYS B   438                                                      
REMARK 465     GLN B   439                                                      
REMARK 465     ILE B   440                                                      
REMARK 465     GLU B   441                                                      
REMARK 465     TYR B   442                                                      
REMARK 465     GLU B   443                                                      
REMARK 465     ARG B   444                                                      
REMARK 465     ASN B   445                                                      
REMARK 465     ASN B   446                                                      
REMARK 465     GLU B   447                                                      
REMARK 465     PHE B   448                                                      
REMARK 465     PRO B   449                                                      
REMARK 465     VAL B   450                                                      
REMARK 465     PHE B   451                                                      
REMARK 465     ASP B   452                                                      
REMARK 465     GLU B   453                                                      
REMARK 465     PHE B   454                                                      
REMARK 465      DC C    22                                                      
REMARK 465      DG D     1                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     TYR B  72    CG   CD1  CD2  CE1  CE2  CZ   OH                    
REMARK 470      DG D   2    P    OP1  OP2                                       
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    PRO A 331   C   -  N   -  CD  ANGL. DEV. = -24.6 DEGREES          
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    CYS A 199       64.96   -109.99                                   
REMARK 500    SER A 221     -118.91     63.66                                   
REMARK 500    SER A 243     -125.11     53.47                                   
REMARK 500    ALA A 247      -31.19   -142.63                                   
REMARK 500    GLU A 259       69.23     60.29                                   
REMARK 500    GLU A 267      -74.94    -75.90                                   
REMARK 500    SER A 305      120.25    -37.33                                   
REMARK 500    LYS A 315     -130.16     65.80                                   
REMARK 500    LEU A 344     -110.71     57.68                                   
REMARK 500    CYS A 397       -1.05     74.85                                   
REMARK 500    LYS A 428     -157.01   -101.56                                   
REMARK 500    ASN A 449       77.74   -113.70                                   
REMARK 500    TRP A 455       51.31   -104.52                                   
REMARK 500    PHE A 516       70.13     47.09                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    TRP A 330        -10.38                                           
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 601  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS A 390   NE2                                                    
REMARK 620 2 CYS A 396   SG  102.7                                              
REMARK 620 3 CYS A 397   SG  112.3 131.1                                        
REMARK 620 4 CYS A 404   SG   79.3 103.4 115.5                                  
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 601                  
DBREF  6EDB A   69   143  UNP    Q05066   SRY_HUMAN       56    130             
DBREF  6EDB A  157   522  UNP    Q8N884   CGAS_HUMAN     157    522             
DBREF  6EDB B    1    75  UNP    Q05066   SRY_HUMAN       56    130             
DBREF  6EDB B   89   454  UNP    Q8N884   CGAS_HUMAN     157    522             
DBREF  6EDB C    1    22  PDB    6EDB     6EDB             1     22             
DBREF  6EDB D    1    22  PDB    6EDB     6EDB             1     22             
SEQADV 6EDB SER A   68  UNP  Q05066              EXPRESSION TAG                 
SEQADV 6EDB LYS A  144  UNP  Q05066              LINKER                         
SEQADV 6EDB GLY A  145  UNP  Q05066              LINKER                         
SEQADV 6EDB GLU A  146  UNP  Q05066              LINKER                         
SEQADV 6EDB THR A  147  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS A  148  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS A  149  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS A  150  UNP  Q05066              LINKER                         
SEQADV 6EDB PHE A  151  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS A  152  UNP  Q05066              LINKER                         
SEQADV 6EDB ASP A  153  UNP  Q05066              LINKER                         
SEQADV 6EDB PRO A  154  UNP  Q05066              LINKER                         
SEQADV 6EDB ASN A  155  UNP  Q05066              LINKER                         
SEQADV 6EDB ALA A  156  UNP  Q05066              LINKER                         
SEQADV 6EDB SER B    0  UNP  Q05066              EXPRESSION TAG                 
SEQADV 6EDB LYS B   76  UNP  Q05066              LINKER                         
SEQADV 6EDB GLY B   77  UNP  Q05066              LINKER                         
SEQADV 6EDB GLU B   78  UNP  Q05066              LINKER                         
SEQADV 6EDB THR B   79  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS B   80  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS B   81  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS B   82  UNP  Q05066              LINKER                         
SEQADV 6EDB PHE B   83  UNP  Q05066              LINKER                         
SEQADV 6EDB LYS B   84  UNP  Q05066              LINKER                         
SEQADV 6EDB ASP B   85  UNP  Q05066              LINKER                         
SEQADV 6EDB PRO B   86  UNP  Q05066              LINKER                         
SEQADV 6EDB ASN B   87  UNP  Q05066              LINKER                         
SEQADV 6EDB ALA B   88  UNP  Q05066              LINKER                         
SEQRES   1 A  455  SER VAL GLN ASP ARG VAL LYS ARG PRO MET ASN ALA PHE          
SEQRES   2 A  455  ILE VAL TRP SER ARG ASP GLN ARG ARG LYS MET ALA LEU          
SEQRES   3 A  455  GLU ASN PRO ARG MET ARG ASN SER GLU ILE SER LYS GLN          
SEQRES   4 A  455  LEU GLY TYR GLN TRP LYS MET LEU THR GLU ALA GLU LYS          
SEQRES   5 A  455  TRP PRO PHE PHE GLN GLU ALA GLN LYS LEU GLN ALA MET          
SEQRES   6 A  455  HIS ARG GLU LYS TYR PRO ASN TYR LYS TYR ARG LYS GLY          
SEQRES   7 A  455  GLU THR LYS LYS LYS PHE LYS ASP PRO ASN ALA ASP ALA          
SEQRES   8 A  455  ALA PRO GLY ALA SER LYS LEU ARG ALA VAL LEU GLU LYS          
SEQRES   9 A  455  LEU LYS LEU SER ARG ASP ASP ILE SER THR ALA ALA GLY          
SEQRES  10 A  455  MET VAL LYS GLY VAL VAL ASP HIS LEU LEU LEU ARG LEU          
SEQRES  11 A  455  LYS CYS ASP SER ALA PHE ARG GLY VAL GLY LEU LEU ASN          
SEQRES  12 A  455  THR GLY SER TYR TYR GLU HIS VAL LYS ILE SER ALA PRO          
SEQRES  13 A  455  ASN GLU PHE ASP VAL MET PHE LYS LEU GLU VAL PRO ARG          
SEQRES  14 A  455  ILE GLN LEU GLU GLU TYR SER ASN THR ARG ALA TYR TYR          
SEQRES  15 A  455  PHE VAL LYS PHE LYS ARG ASN PRO LYS GLU ASN PRO LEU          
SEQRES  16 A  455  SER GLN PHE LEU GLU GLY GLU ILE LEU SER ALA SER LYS          
SEQRES  17 A  455  MET LEU SER LYS PHE ARG LYS ILE ILE LYS GLU GLU ILE          
SEQRES  18 A  455  ASN ASP ILE LYS ASP THR ASP VAL ILE MET LYS ARG LYS          
SEQRES  19 A  455  ARG GLY GLY SER PRO ALA VAL THR LEU LEU ILE SER GLU          
SEQRES  20 A  455  LYS ILE SER VAL ASP ILE THR LEU ALA LEU GLU SER LYS          
SEQRES  21 A  455  SER SER TRP PRO ALA SER THR GLN GLU GLY LEU ARG ILE          
SEQRES  22 A  455  GLN ASN TRP LEU SER ALA LYS VAL ARG LYS GLN LEU ARG          
SEQRES  23 A  455  LEU LYS PRO PHE TYR LEU VAL PRO LYS HIS ALA LYS GLU          
SEQRES  24 A  455  GLY ASN GLY PHE GLN GLU GLU THR TRP ARG LEU SER PHE          
SEQRES  25 A  455  SER HIS ILE GLU LYS GLU ILE LEU ASN ASN HIS GLY LYS          
SEQRES  26 A  455  SER LYS THR CYS CYS GLU ASN LYS GLU GLU LYS CYS CYS          
SEQRES  27 A  455  ARG LYS ASP CYS LEU LYS LEU MET LYS TYR LEU LEU GLU          
SEQRES  28 A  455  GLN LEU LYS GLU ARG PHE LYS ASP LYS LYS HIS LEU ASP          
SEQRES  29 A  455  LYS PHE SER SER TYR HIS VAL LYS THR ALA PHE PHE HIS          
SEQRES  30 A  455  VAL CYS THR GLN ASN PRO GLN ASP SER GLN TRP ASP ARG          
SEQRES  31 A  455  LYS ASP LEU GLY LEU CYS PHE ASP ASN CYS VAL THR TYR          
SEQRES  32 A  455  PHE LEU GLN CYS LEU ARG THR GLU LYS LEU GLU ASN TYR          
SEQRES  33 A  455  PHE ILE PRO GLU PHE ASN LEU PHE SER SER ASN LEU ILE          
SEQRES  34 A  455  ASP LYS ARG SER LYS GLU PHE LEU THR LYS GLN ILE GLU          
SEQRES  35 A  455  TYR GLU ARG ASN ASN GLU PHE PRO VAL PHE ASP GLU PHE          
SEQRES   1 B  455  SER VAL GLN ASP ARG VAL LYS ARG PRO MET ASN ALA PHE          
SEQRES   2 B  455  ILE VAL TRP SER ARG ASP GLN ARG ARG LYS MET ALA LEU          
SEQRES   3 B  455  GLU ASN PRO ARG MET ARG ASN SER GLU ILE SER LYS GLN          
SEQRES   4 B  455  LEU GLY TYR GLN TRP LYS MET LEU THR GLU ALA GLU LYS          
SEQRES   5 B  455  TRP PRO PHE PHE GLN GLU ALA GLN LYS LEU GLN ALA MET          
SEQRES   6 B  455  HIS ARG GLU LYS TYR PRO ASN TYR LYS TYR ARG LYS GLY          
SEQRES   7 B  455  GLU THR LYS LYS LYS PHE LYS ASP PRO ASN ALA ASP ALA          
SEQRES   8 B  455  ALA PRO GLY ALA SER LYS LEU ARG ALA VAL LEU GLU LYS          
SEQRES   9 B  455  LEU LYS LEU SER ARG ASP ASP ILE SER THR ALA ALA GLY          
SEQRES  10 B  455  MET VAL LYS GLY VAL VAL ASP HIS LEU LEU LEU ARG LEU          
SEQRES  11 B  455  LYS CYS ASP SER ALA PHE ARG GLY VAL GLY LEU LEU ASN          
SEQRES  12 B  455  THR GLY SER TYR TYR GLU HIS VAL LYS ILE SER ALA PRO          
SEQRES  13 B  455  ASN GLU PHE ASP VAL MET PHE LYS LEU GLU VAL PRO ARG          
SEQRES  14 B  455  ILE GLN LEU GLU GLU TYR SER ASN THR ARG ALA TYR TYR          
SEQRES  15 B  455  PHE VAL LYS PHE LYS ARG ASN PRO LYS GLU ASN PRO LEU          
SEQRES  16 B  455  SER GLN PHE LEU GLU GLY GLU ILE LEU SER ALA SER LYS          
SEQRES  17 B  455  MET LEU SER LYS PHE ARG LYS ILE ILE LYS GLU GLU ILE          
SEQRES  18 B  455  ASN ASP ILE LYS ASP THR ASP VAL ILE MET LYS ARG LYS          
SEQRES  19 B  455  ARG GLY GLY SER PRO ALA VAL THR LEU LEU ILE SER GLU          
SEQRES  20 B  455  LYS ILE SER VAL ASP ILE THR LEU ALA LEU GLU SER LYS          
SEQRES  21 B  455  SER SER TRP PRO ALA SER THR GLN GLU GLY LEU ARG ILE          
SEQRES  22 B  455  GLN ASN TRP LEU SER ALA LYS VAL ARG LYS GLN LEU ARG          
SEQRES  23 B  455  LEU LYS PRO PHE TYR LEU VAL PRO LYS HIS ALA LYS GLU          
SEQRES  24 B  455  GLY ASN GLY PHE GLN GLU GLU THR TRP ARG LEU SER PHE          
SEQRES  25 B  455  SER HIS ILE GLU LYS GLU ILE LEU ASN ASN HIS GLY LYS          
SEQRES  26 B  455  SER LYS THR CYS CYS GLU ASN LYS GLU GLU LYS CYS CYS          
SEQRES  27 B  455  ARG LYS ASP CYS LEU LYS LEU MET LYS TYR LEU LEU GLU          
SEQRES  28 B  455  GLN LEU LYS GLU ARG PHE LYS ASP LYS LYS HIS LEU ASP          
SEQRES  29 B  455  LYS PHE SER SER TYR HIS VAL LYS THR ALA PHE PHE HIS          
SEQRES  30 B  455  VAL CYS THR GLN ASN PRO GLN ASP SER GLN TRP ASP ARG          
SEQRES  31 B  455  LYS ASP LEU GLY LEU CYS PHE ASP ASN CYS VAL THR TYR          
SEQRES  32 B  455  PHE LEU GLN CYS LEU ARG THR GLU LYS LEU GLU ASN TYR          
SEQRES  33 B  455  PHE ILE PRO GLU PHE ASN LEU PHE SER SER ASN LEU ILE          
SEQRES  34 B  455  ASP LYS ARG SER LYS GLU PHE LEU THR LYS GLN ILE GLU          
SEQRES  35 B  455  TYR GLU ARG ASN ASN GLU PHE PRO VAL PHE ASP GLU PHE          
SEQRES   1 C   22   DC  DG  DA  DT  DC  DC  DG  DG  DG  DA  DT  DC  DT          
SEQRES   2 C   22   DA  DA  DA  DC  DA  DA  DT  DG  DC                          
SEQRES   1 D   22   DG  DG  DC  DA  DT  DT  DG  DT  DT  DT  DA  DG  DA          
SEQRES   2 D   22   DT  DC  DC  DC  DG  DG  DA  DT  DC                          
HET     ZN  A 601       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   5   ZN    ZN 2+                                                        
HELIX    1 AA1 LYS A  164  LEU A  172  5                                   9    
HELIX    2 AA2 SER A  175  LEU A  197  1                                  23    
HELIX    3 AA3 ASN A  260  LEU A  266  5                                   7    
HELIX    4 AA4 SER A  274  ILE A  291  1                                  18    
HELIX    5 AA5 PRO A  331  GLN A  335  5                                   5    
HELIX    6 AA6 SER A  345  LEU A  354  1                                  10    
HELIX    7 AA7 PHE A  379  ASN A  389  1                                  11    
HELIX    8 AA8 CYS A  405  PHE A  424  1                                  20    
HELIX    9 AA9 SER A  434  ASN A  449  1                                  16    
HELIX   10 AB1 ASP A  452  ASP A  456  5                                   5    
HELIX   11 AB2 ASP A  459  GLU A  478  1                                  20    
HELIX   12 AB3 ASP A  497  ASN A  514  1                                  18    
HELIX   13 AB4 PHE A  516  ASP A  520  5                                   5    
HELIX   14 AB5 ASN B   10  LEU B   25  1                                  16    
HELIX   15 AB6 ARG B   31  LYS B   44  1                                  14    
HELIX   16 AB7 THR B   47  MET B   64  1                                  18    
SHEET    1 AA1 7 VAL A 206  THR A 211  0                                        
SHEET    2 AA1 7 GLU A 225  GLU A 233 -1  O  MET A 229   N  LEU A 209           
SHEET    3 AA1 7 SER A 317  SER A 326  1  O  ALA A 323   N  PHE A 230           
SHEET    4 AA1 7 PHE A 357  PRO A 361 -1  O  PHE A 357   N  SER A 326           
SHEET    5 AA1 7 THR A 374  SER A 378 -1  O  ARG A 376   N  VAL A 360           
SHEET    6 AA1 7 TYR A 248  PHE A 253 -1  N  TYR A 249   O  TRP A 375           
SHEET    7 AA1 7 ILE A 237  GLU A 241 -1  N  GLU A 240   O  PHE A 250           
SHEET    1 AA2 5 VAL A 206  THR A 211  0                                        
SHEET    2 AA2 5 GLU A 225  GLU A 233 -1  O  MET A 229   N  LEU A 209           
SHEET    3 AA2 5 SER A 317  SER A 326  1  O  ALA A 323   N  PHE A 230           
SHEET    4 AA2 5 ALA A 307  ILE A 312 -1  N  LEU A 310   O  VAL A 318           
SHEET    5 AA2 5 VAL A 296  MET A 298 -1  N  ILE A 297   O  LEU A 311           
LINK         NE2 HIS A 390                ZN    ZN A 601     1555   1555  2.03  
LINK         SG  CYS A 396                ZN    ZN A 601     1555   1555  2.68  
LINK         SG  CYS A 397                ZN    ZN A 601     1555   1555  2.20  
LINK         SG  CYS A 404                ZN    ZN A 601     1555   1555  2.19  
SITE     1 AC1  4 HIS A 390  CYS A 396  CYS A 397  CYS A 404                    
CRYST1   90.307  115.827  159.077  90.00  90.00  90.00 I 2 2 2      16          
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      0.011073  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.008634  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006286        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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