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Database: PDB
Entry: 6CT9
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Original site: 6CT9 
HEADER    TRANSFERASE/DNA                         22-MAR-18   6CT9              
TITLE     STRUCTURE OF THE HUMAN CGAS-DNA COMPLEX                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CYCLIC GMP-AMP SYNTHASE;                                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: H-CGAS,2'3'-CGAMP SYNTHASE,MAB-21 DOMAIN-CONTAINING PROTEIN 
COMPND   5 1;                                                                   
COMPND   6 EC: 2.7.7.86;                                                        
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES;                                                       
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3');    
COMPND  11 CHAIN: B;                                                            
COMPND  12 ENGINEERED: YES;                                                     
COMPND  13 MOL_ID: 3;                                                           
COMPND  14 MOLECULE: DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-
COMPND  15 3');                                                                 
COMPND  16 CHAIN: C;                                                            
COMPND  17 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: CGAS, C6ORF150, MB21D1;                                        
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE  11 ORGANISM_TAXID: 32630;                                               
SOURCE  12 MOL_ID: 3;                                                           
SOURCE  13 SYNTHETIC: YES;                                                      
SOURCE  14 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE  15 ORGANISM_TAXID: 32630                                                
KEYWDS    CGAS, STING, INNATE IMMUNITY, TRANSFERASE, TRANSFERASE-DNA COMPLEX    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    W.ZHOU,A.T.WHITELEY,C.C.DE OLIVEIRA MANN,B.R.MOREHOUSE,J.J.MEKALANOS, 
AUTHOR   2 P.J.KRANZUSCH                                                        
REVDAT   3   17-APR-19 6CT9    1       REMARK                                   
REVDAT   2   01-AUG-18 6CT9    1       JRNL                                     
REVDAT   1   18-JUL-18 6CT9    0                                                
JRNL        AUTH   W.ZHOU,A.T.WHITELEY,C.C.DE OLIVEIRA MANN,B.R.MOREHOUSE,      
JRNL        AUTH 2 R.P.NOWAK,E.S.FISCHER,N.S.GRAY,J.J.MEKALANOS,P.J.KRANZUSCH   
JRNL        TITL   STRUCTURE OF THE HUMAN CGAS-DNA COMPLEX REVEALS ENHANCED     
JRNL        TITL 2 CONTROL OF IMMUNE SURVEILLANCE.                              
JRNL        REF    CELL                          V. 174   300 2018              
JRNL        REFN                   ISSN 1097-4172                               
JRNL        PMID   30007416                                                     
JRNL        DOI    10.1016/J.CELL.2018.06.026                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.26 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.13_2998: ???)                              
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 : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.26                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 45.98                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.330                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 33166                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.202                           
REMARK   3   R VALUE            (WORKING SET) : 0.199                           
REMARK   3   FREE R VALUE                     : 0.228                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 10.000                          
REMARK   3   FREE R VALUE TEST SET COUNT      : 3316                            
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 45.9846 -  6.5127    1.00     1440   160  0.1971 0.2013        
REMARK   3     2  6.5127 -  5.1716    1.00     1327   148  0.1856 0.2113        
REMARK   3     3  5.1716 -  4.5185    1.00     1298   144  0.1444 0.1858        
REMARK   3     4  4.5185 -  4.1057    1.00     1288   142  0.1539 0.1616        
REMARK   3     5  4.1057 -  3.8115    1.00     1267   142  0.1573 0.1875        
REMARK   3     6  3.8115 -  3.5869    1.00     1270   141  0.1749 0.2023        
REMARK   3     7  3.5869 -  3.4073    1.00     1262   140  0.1825 0.2272        
REMARK   3     8  3.4073 -  3.2591    1.00     1253   138  0.1996 0.2380        
REMARK   3     9  3.2591 -  3.1336    1.00     1249   139  0.1982 0.2502        
REMARK   3    10  3.1336 -  3.0255    1.00     1255   139  0.2214 0.2424        
REMARK   3    11  3.0255 -  2.9309    1.00     1232   138  0.2217 0.2495        
REMARK   3    12  2.9309 -  2.8472    1.00     1250   140  0.2360 0.2798        
REMARK   3    13  2.8472 -  2.7722    1.00     1241   137  0.2494 0.2513        
REMARK   3    14  2.7722 -  2.7046    1.00     1230   136  0.2522 0.3201        
REMARK   3    15  2.7046 -  2.6431    1.00     1242   139  0.2505 0.3301        
REMARK   3    16  2.6431 -  2.5869    1.00     1248   139  0.2624 0.2765        
REMARK   3    17  2.5869 -  2.5351    1.00     1230   136  0.2698 0.3433        
REMARK   3    18  2.5351 -  2.4873    1.00     1236   138  0.2664 0.3238        
REMARK   3    19  2.4873 -  2.4429    1.00     1222   136  0.2785 0.3180        
REMARK   3    20  2.4429 -  2.4015    1.00     1220   134  0.2878 0.3410        
REMARK   3    21  2.4015 -  2.3627    1.00     1244   137  0.3070 0.3424        
REMARK   3    22  2.3627 -  2.3264    1.00     1214   136  0.3064 0.3228        
REMARK   3    23  2.3264 -  2.2922    1.00     1240   138  0.3177 0.3610        
REMARK   3    24  2.2922 -  2.2599    0.73      892    99  0.3338 0.3980        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
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)     : 0.340            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.650           
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      :  0.006           3577                                  
REMARK   3   ANGLE     :  0.720           4924                                  
REMARK   3   CHIRALITY :  0.042            539                                  
REMARK   3   PLANARITY :  0.004            522                                  
REMARK   3   DIHEDRAL  : 19.111           2069                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 17                                         
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 161 THROUGH 175 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  34.9195 -19.5055  -1.8017              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6801 T22:   0.4136                                     
REMARK   3      T33:   0.5584 T12:   0.0170                                     
REMARK   3      T13:   0.0376 T23:   0.0668                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0796 L22:   0.3254                                     
REMARK   3      L33:   0.0175 L12:  -0.1763                                     
REMARK   3      L13:  -0.0492 L23:   0.1040                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0825 S12:   0.2597 S13:   0.6902                       
REMARK   3      S21:  -0.1413 S22:  -0.1250 S23:   0.4104                       
REMARK   3      S31:  -0.6142 S32:  -0.0239 S33:  -0.0008                       
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 176 THROUGH 199 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   9.0951 -32.8619  -0.0439              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4760 T22:   0.5548                                     
REMARK   3      T33:   0.6151 T12:   0.0161                                     
REMARK   3      T13:   0.0008 T23:   0.0561                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3566 L22:   0.3227                                     
REMARK   3      L33:   0.1998 L12:  -0.3601                                     
REMARK   3      L13:  -0.3305 L23:   0.2947                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0828 S12:   0.4871 S13:   0.5969                       
REMARK   3      S21:   0.5578 S22:   0.2392 S23:   0.4848                       
REMARK   3      S31:  -0.1942 S32:  -0.1342 S33:  -0.0000                       
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 200 THROUGH 205 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   4.5542 -52.0493   1.6124              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5357 T22:   0.9406                                     
REMARK   3      T33:   0.8407 T12:   0.0408                                     
REMARK   3      T13:   0.0557 T23:   0.0845                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0500 L22:   0.0227                                     
REMARK   3      L33:   0.1124 L12:  -0.0126                                     
REMARK   3      L13:  -0.0309 L23:  -0.0555                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.5524 S12:   0.2936 S13:  -0.1836                       
REMARK   3      S21:   0.5389 S22:  -0.1414 S23:  -0.2043                       
REMARK   3      S31:  -0.0877 S32:  -0.1072 S33:   0.0023                       
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 206 THROUGH 232 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  20.0855 -35.6671  -0.0268              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5782 T22:   0.7509                                     
REMARK   3      T33:   0.6794 T12:  -0.0195                                     
REMARK   3      T13:  -0.0267 T23:   0.0325                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1817 L22:   0.1939                                     
REMARK   3      L33:   0.1088 L12:   0.3600                                     
REMARK   3      L13:   0.1747 L23:  -0.0204                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1160 S12:   0.5560 S13:   0.0686                       
REMARK   3      S21:  -0.1537 S22:   0.0856 S23:  -0.3796                       
REMARK   3      S31:   0.0548 S32:   0.1030 S33:  -0.0002                       
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 233 THROUGH 248 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  24.4330 -60.2691  -0.4776              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6116 T22:   0.6275                                     
REMARK   3      T33:   0.7317 T12:  -0.0358                                     
REMARK   3      T13:  -0.0616 T23:  -0.0619                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2370 L22:   0.2505                                     
REMARK   3      L33:   0.0254 L12:  -0.2220                                     
REMARK   3      L13:   0.1106 L23:  -0.1164                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5021 S12:  -0.2410 S13:  -0.4678                       
REMARK   3      S21:   0.0407 S22:  -0.0010 S23:  -0.0947                       
REMARK   3      S31:   0.4619 S32:   0.3763 S33:  -0.0015                       
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 249 THROUGH 265 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  13.4790 -61.6379  -0.0379              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5617 T22:   0.5255                                     
REMARK   3      T33:   0.7260 T12:  -0.0099                                     
REMARK   3      T13:   0.0534 T23:  -0.0671                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0050 L22:   0.3082                                     
REMARK   3      L33:  -0.0283 L12:   0.0575                                     
REMARK   3      L13:  -0.0088 L23:   0.0095                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6305 S12:   0.1628 S13:  -0.4456                       
REMARK   3      S21:   0.2476 S22:   0.5899 S23:   0.3697                       
REMARK   3      S31:   0.5201 S32:  -0.1134 S33:  -0.0013                       
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 266 THROUGH 272 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  13.6932 -64.0301  -5.6698              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.6329 T22:   0.7899                                     
REMARK   3      T33:   0.9365 T12:  -0.1495                                     
REMARK   3      T13:   0.1055 T23:  -0.2744                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0609 L22:   0.0985                                     
REMARK   3      L33:   0.0392 L12:  -0.0352                                     
REMARK   3      L13:   0.0193 L23:   0.0443                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2144 S12:   0.3571 S13:  -0.4204                       
REMARK   3      S21:  -0.1287 S22:   0.0416 S23:   0.5217                       
REMARK   3      S31:   0.4645 S32:  -0.3475 S33:   0.0005                       
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 273 THROUGH 289 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   7.1527 -47.6403  -9.4020              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5297 T22:   0.8553                                     
REMARK   3      T33:   0.5258 T12:  -0.0221                                     
REMARK   3      T13:  -0.0463 T23:  -0.0815                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2377 L22:   0.2037                                     
REMARK   3      L33:   0.2501 L12:   0.2335                                     
REMARK   3      L13:   0.0324 L23:  -0.0756                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0827 S12:   0.5435 S13:  -0.2552                       
REMARK   3      S21:  -0.8604 S22:   0.0074 S23:   0.5347                       
REMARK   3      S31:   0.1069 S32:  -0.3787 S33:  -0.0012                       
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 290 THROUGH 299 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):   6.5329 -34.9924 -12.0591              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.8047 T22:   1.0569                                     
REMARK   3      T33:   0.7773 T12:   0.1505                                     
REMARK   3      T13:  -0.1535 T23:   0.2996                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6859 L22:   4.3564                                     
REMARK   3      L33:   3.5937 L12:  -0.9463                                     
REMARK   3      L13:  -0.9001 L23:   3.9385                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0688 S12:   0.0307 S13:   0.2351                       
REMARK   3      S21:  -0.2897 S22:   1.0172 S23:   0.3692                       
REMARK   3      S31:  -0.4778 S32:  -0.5322 S33:   0.5629                       
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 303 THROUGH 334 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  18.8067 -43.9713  -3.0492              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3924 T22:   0.5555                                     
REMARK   3      T33:   0.4788 T12:   0.0173                                     
REMARK   3      T13:   0.0259 T23:   0.0309                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.4251 L22:   0.0424                                     
REMARK   3      L33:   0.0199 L12:   0.1363                                     
REMARK   3      L13:   0.0590 L23:   0.0461                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0232 S12:   0.3052 S13:   0.0044                       
REMARK   3      S21:  -0.0689 S22:  -0.0779 S23:  -0.1870                       
REMARK   3      S31:  -0.0202 S32:   0.0216 S33:  -0.0000                       
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 335 THROUGH 361 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  32.2402 -48.4379  10.5110              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3448 T22:   0.3724                                     
REMARK   3      T33:   0.3783 T12:   0.0176                                     
REMARK   3      T13:   0.0108 T23:   0.0156                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6992 L22:   0.1717                                     
REMARK   3      L33:   0.5714 L12:   0.4947                                     
REMARK   3      L13:  -0.6545 L23:  -0.3154                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0058 S12:   0.1222 S13:  -0.3714                       
REMARK   3      S21:   0.0836 S22:  -0.0499 S23:  -0.1275                       
REMARK   3      S31:   0.2894 S32:  -0.0013 S33:   0.0001                       
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 362 THROUGH 388 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  25.2161 -49.2562  -2.9364              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3477 T22:   0.5716                                     
REMARK   3      T33:   0.4810 T12:  -0.0183                                     
REMARK   3      T13:  -0.0057 T23:  -0.0175                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  -0.0337 L22:   0.2546                                     
REMARK   3      L33:  -0.0065 L12:   0.1283                                     
REMARK   3      L13:   0.0150 L23:  -0.0691                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2261 S12:   0.1943 S13:   0.1749                       
REMARK   3      S21:  -0.3386 S22:  -0.1488 S23:   0.4661                       
REMARK   3      S31:  -0.2305 S32:  -0.1014 S33:  -0.0002                       
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 389 THROUGH 434 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  35.0959 -30.8529  -2.2999              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3968 T22:   0.4704                                     
REMARK   3      T33:   0.4089 T12:   0.0073                                     
REMARK   3      T13:  -0.0264 T23:   0.0445                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.0245 L22:   0.5978                                     
REMARK   3      L33:   0.3146 L12:   0.0812                                     
REMARK   3      L13:  -0.0697 L23:  -0.1488                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0845 S12:   0.1172 S13:   0.1079                       
REMARK   3      S21:  -0.0577 S22:   0.0652 S23:   0.0988                       
REMARK   3      S31:  -0.3218 S32:  -0.0310 S33:  -0.0002                       
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 435 THROUGH 497 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  40.9076 -39.6016  -1.6210              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3467 T22:   0.4694                                     
REMARK   3      T33:   0.4025 T12:  -0.0023                                     
REMARK   3      T13:   0.0114 T23:   0.0044                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1501 L22:   1.1170                                     
REMARK   3      L33:   1.0543 L12:  -0.1695                                     
REMARK   3      L13:  -0.2070 L23:  -0.9403                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0230 S12:   0.0829 S13:   0.0009                       
REMARK   3      S21:  -0.0964 S22:   0.0814 S23:  -0.1130                       
REMARK   3      S31:   0.0479 S32:   0.1642 S33:   0.0001                       
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    SELECTION: CHAIN 'A' AND (RESID 498 THROUGH 521 )                 
REMARK   3    ORIGIN FOR THE GROUP (A):  43.3826 -30.6751 -14.8870              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4831 T22:   0.5705                                     
REMARK   3      T33:   0.3358 T12:   0.0456                                     
REMARK   3      T13:   0.0664 T23:   0.0648                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.1316 L22:   0.3179                                     
REMARK   3      L33:   0.3726 L12:  -0.1978                                     
REMARK   3      L13:   0.2019 L23:  -0.3755                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1248 S12:   0.1656 S13:   0.0378                       
REMARK   3      S21:  -0.4970 S22:  -0.0240 S23:  -0.3885                       
REMARK   3      S31:  -0.3915 S32:   0.2819 S33:   0.0004                       
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    SELECTION: CHAIN 'B' AND (RESID 4 THROUGH 16 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  15.7612 -28.6357  15.5160              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.0144 T22:   1.3478                                     
REMARK   3      T33:   1.1272 T12:  -0.2665                                     
REMARK   3      T13:  -0.0501 T23:  -0.0968                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.3281 L22:   0.4625                                     
REMARK   3      L33:   1.1654 L12:  -0.4020                                     
REMARK   3      L13:   0.0157 L23:  -0.1739                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1608 S12:  -1.7335 S13:   0.6796                       
REMARK   3      S21:  -0.1927 S22:  -0.6997 S23:   0.1641                       
REMARK   3      S31:  -0.3277 S32:  -0.6001 S33:  -0.0262                       
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    SELECTION: CHAIN 'C' AND (RESID 1 THROUGH 16 )                    
REMARK   3    ORIGIN FOR THE GROUP (A):  14.9188 -29.5687  13.4958              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1752 T22:   0.9511                                     
REMARK   3      T33:   1.2350 T12:  -0.1694                                     
REMARK   3      T13:  -0.1292 T23:   0.0423                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6359 L22:   0.5101                                     
REMARK   3      L33:   1.1900 L12:  -0.2748                                     
REMARK   3      L13:   0.1592 L23:   0.7490                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4036 S12:  -0.8094 S13:   0.7905                       
REMARK   3      S21:  -0.2563 S22:  -0.7416 S23:   0.8441                       
REMARK   3      S31:  -0.4481 S32:   0.0573 S33:  -0.0002                       
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 6CT9 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-MAR-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000233352.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 08-NOV-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 80                                 
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) : 0.97918                            
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 : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 33460                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 48.210                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.6                               
REMARK 200  DATA REDUNDANCY                : 13.10                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 10.9000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.38                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 96.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 12.10                              
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.100                              
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: 4KM5                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 61.54                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.20                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M HEPES-NAOH PH 7.0, 1.4 M SODIUM    
REMARK 280  CITRATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K            
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+1/3                                            
REMARK 290       3555   -X+Y,-X,Z+2/3                                           
REMARK 290       4555   -X,-Y,Z+1/2                                             
REMARK 290       5555   Y,-X+Y,Z+5/6                                            
REMARK 290       6555   X-Y,X,Z+1/6                                             
REMARK 290       7555   Y,X,-Z+1/3                                              
REMARK 290       8555   X-Y,-Y,-Z                                               
REMARK 290       9555   -X,-X+Y,-Z+2/3                                          
REMARK 290      10555   -Y,-X,-Z+5/6                                            
REMARK 290      11555   -X+Y,Y,-Z+1/2                                           
REMARK 290      12555   X,X-Y,-Z+1/6                                            
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       78.92300            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000      157.84600            
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      118.38450            
REMARK 290   SMTRY1   5  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   5 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000      197.30750            
REMARK 290   SMTRY1   6  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       39.46150            
REMARK 290   SMTRY1   7 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       78.92300            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   9 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   9  0.000000  0.000000 -1.000000      157.84600            
REMARK 290   SMTRY1  10  0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  10 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  10  0.000000  0.000000 -1.000000      197.30750            
REMARK 290   SMTRY1  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  11  0.000000  0.000000 -1.000000      118.38450            
REMARK 290   SMTRY1  12  0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3  12  0.000000  0.000000 -1.000000       39.46150            
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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2840 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 20900 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -19.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
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   156                                                      
REMARK 465     ASP A   157                                                      
REMARK 465     ALA A   158                                                      
REMARK 465     ALA A   159                                                      
REMARK 465     PRO A   160                                                      
REMARK 465     ARG A   255                                                      
REMARK 465     ASN A   256                                                      
REMARK 465     PRO A   257                                                      
REMARK 465     LYS A   258                                                      
REMARK 465     LYS A   292                                                      
REMARK 465     ASP A   293                                                      
REMARK 465     THR A   294                                                      
REMARK 465     ARG A   300                                                      
REMARK 465     LYS A   301                                                      
REMARK 465     ARG A   302                                                      
REMARK 465     GLU A   366                                                      
REMARK 465     GLY A   367                                                      
REMARK 465     ASN A   368                                                      
REMARK 465     PHE A   522                                                      
REMARK 465      DT B     1                                                      
REMARK 465      DT B     2                                                      
REMARK 465      DT B     3                                                      
REMARK 465      DT B    17                                                      
REMARK 465      DA C    17                                                      
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      DA C   1    O5'                                                 
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   OP1   DA C    13     O    HOH C   101              1.98            
REMARK 500   OP1   DA C    10     O    HOH C   102              2.01            
REMARK 500   O    HOH A   713     O    HOH A   777              2.06            
REMARK 500   O3'   DT B    16     O    HOH B   101              2.18            
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    SER A 221      -68.67     73.44                                   
REMARK 500    SER A 243     -128.84     53.83                                   
REMARK 500    ARG A 246      -26.89     73.98                                   
REMARK 500    SER A 345      152.63    102.38                                   
REMARK 500    PHE A 516       71.53     56.63                                   
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  115.5                                              
REMARK 620 3 CYS A 397   SG  105.4 128.7                                        
REMARK 620 4 CYS A 404   SG   97.2 100.0 104.4                                  
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  6CT9 A  157   522  UNP    Q8N884   CGAS_HUMAN     157    522             
DBREF  6CT9 B    1    17  PDB    6CT9     6CT9             1     17             
DBREF  6CT9 C    1    17  PDB    6CT9     6CT9             1     17             
SEQADV 6CT9 SER A  156  UNP  Q8N884              EXPRESSION TAG                 
SEQADV 6CT9 ASN A  187  UNP  Q8N884    LYS   187 ENGINEERED MUTATION            
SEQADV 6CT9 ARG A  195  UNP  Q8N884    LEU   195 ENGINEERED MUTATION            
SEQRES   1 A  367  SER ASP ALA ALA PRO GLY ALA SER LYS LEU ARG ALA VAL          
SEQRES   2 A  367  LEU GLU LYS LEU LYS LEU SER ARG ASP ASP ILE SER THR          
SEQRES   3 A  367  ALA ALA GLY MET VAL ASN GLY VAL VAL ASP HIS LEU LEU          
SEQRES   4 A  367  ARG ARG LEU LYS CYS ASP SER ALA PHE ARG GLY VAL GLY          
SEQRES   5 A  367  LEU LEU ASN THR GLY SER TYR TYR GLU HIS VAL LYS ILE          
SEQRES   6 A  367  SER ALA PRO ASN GLU PHE ASP VAL MET PHE LYS LEU GLU          
SEQRES   7 A  367  VAL PRO ARG ILE GLN LEU GLU GLU TYR SER ASN THR ARG          
SEQRES   8 A  367  ALA TYR TYR PHE VAL LYS PHE LYS ARG ASN PRO LYS GLU          
SEQRES   9 A  367  ASN PRO LEU SER GLN PHE LEU GLU GLY GLU ILE LEU SER          
SEQRES  10 A  367  ALA SER LYS MET LEU SER LYS PHE ARG LYS ILE ILE LYS          
SEQRES  11 A  367  GLU GLU ILE ASN ASP ILE LYS ASP THR ASP VAL ILE MET          
SEQRES  12 A  367  LYS ARG LYS ARG GLY GLY SER PRO ALA VAL THR LEU LEU          
SEQRES  13 A  367  ILE SER GLU LYS ILE SER VAL ASP ILE THR LEU ALA LEU          
SEQRES  14 A  367  GLU SER LYS SER SER TRP PRO ALA SER THR GLN GLU GLY          
SEQRES  15 A  367  LEU ARG ILE GLN ASN TRP LEU SER ALA LYS VAL ARG LYS          
SEQRES  16 A  367  GLN LEU ARG LEU LYS PRO PHE TYR LEU VAL PRO LYS HIS          
SEQRES  17 A  367  ALA LYS GLU GLY ASN GLY PHE GLN GLU GLU THR TRP ARG          
SEQRES  18 A  367  LEU SER PHE SER HIS ILE GLU LYS GLU ILE LEU ASN ASN          
SEQRES  19 A  367  HIS GLY LYS SER LYS THR CYS CYS GLU ASN LYS GLU GLU          
SEQRES  20 A  367  LYS CYS CYS ARG LYS ASP CYS LEU LYS LEU MET LYS TYR          
SEQRES  21 A  367  LEU LEU GLU GLN LEU LYS GLU ARG PHE LYS ASP LYS LYS          
SEQRES  22 A  367  HIS LEU ASP LYS PHE SER SER TYR HIS VAL LYS THR ALA          
SEQRES  23 A  367  PHE PHE HIS VAL CYS THR GLN ASN PRO GLN ASP SER GLN          
SEQRES  24 A  367  TRP ASP ARG LYS ASP LEU GLY LEU CYS PHE ASP ASN CYS          
SEQRES  25 A  367  VAL THR TYR PHE LEU GLN CYS LEU ARG THR GLU LYS LEU          
SEQRES  26 A  367  GLU ASN TYR PHE ILE PRO GLU PHE ASN LEU PHE SER SER          
SEQRES  27 A  367  ASN LEU ILE ASP LYS ARG SER LYS GLU PHE LEU THR LYS          
SEQRES  28 A  367  GLN ILE GLU TYR GLU ARG ASN ASN GLU PHE PRO VAL PHE          
SEQRES  29 A  367  ASP GLU PHE                                                  
SEQRES   1 B   17   DT  DT  DT  DC  DG  DT  DC  DT  DT  DC  DG  DG  DC          
SEQRES   2 B   17   DA  DA  DT  DT                                              
SEQRES   1 C   17   DA  DA  DA  DT  DT  DG  DC  DC  DG  DA  DA  DG  DA          
SEQRES   2 C   17   DC  DG  DA  DA                                              
HET     ZN  A 601       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   4   ZN    ZN 2+                                                        
FORMUL   5  HOH   *103(H2 O)                                                    
HELIX    1 AA1 GLY A  161  LYS A  173  1                                  13    
HELIX    2 AA2 SER A  175  LYS A  198  1                                  24    
HELIX    3 AA3 GLY A  212  GLU A  216  1                                   5    
HELIX    4 AA4 LEU A  262  GLN A  264  5                                   3    
HELIX    5 AA5 SER A  272  ASP A  290  1                                  19    
HELIX    6 AA6 PRO A  331  GLN A  335  5                                   5    
HELIX    7 AA7 SER A  345  LYS A  355  1                                  11    
HELIX    8 AA8 PHE A  379  ASN A  389  1                                  11    
HELIX    9 AA9 CYS A  405  PHE A  424  1                                  20    
HELIX   10 AB1 SER A  434  ASN A  449  1                                  16    
HELIX   11 AB2 GLN A  451  LYS A  458  5                                   8    
HELIX   12 AB3 ASP A  459  GLU A  478  1                                  20    
HELIX   13 AB4 ASP A  497  ASN A  514  1                                  18    
HELIX   14 AB5 PHE A  516  GLU A  521  1                                   6    
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 ILE A 316  SER A 326  1  O  GLU A 325   N  LEU A 232           
SHEET    4 AA1 7 PHE A 357  PRO A 361 -1  O  LEU A 359   N  LEU A 324           
SHEET    5 AA1 7 TRP A 375  SER A 378 -1  O  SER A 378   N  TYR A 358           
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 ILE A 316  SER A 326  1  O  GLU A 325   N  LEU A 232           
SHEET    4 AA2 5 VAL A 308  ILE A 312 -1  N  ILE A 312   O  ILE A 316           
SHEET    5 AA2 5 VAL A 296  MET A 298 -1  N  ILE A 297   O  LEU A 311           
SHEET    1 AA3 2 LEU A 266  GLU A 267  0                                        
SHEET    2 AA3 2 ILE A 270  LEU A 271 -1  O  ILE A 270   N  GLU A 267           
LINK         NE2 HIS A 390                ZN    ZN A 601     1555   1555  2.04  
LINK         SG  CYS A 396                ZN    ZN A 601     1555   1555  2.29  
LINK         SG  CYS A 397                ZN    ZN A 601     1555   1555  2.24  
LINK         SG  CYS A 404                ZN    ZN A 601     1555   1555  2.38  
CISPEP   1 SER A  305    PRO A  306          0        -0.18                     
SITE     1 AC1  4 HIS A 390  CYS A 396  CYS A 397  CYS A 404                    
CRYST1   99.782   99.782  236.769  90.00  90.00 120.00 P 61 2 2     12          
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      0.010022  0.005786  0.000000        0.00000                         
SCALE2      0.000000  0.011572  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004224        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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