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Entry: 3EPZ
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HEADER    TRANSFERASE                             30-SEP-08   3EPZ              
TITLE     STRUCTURE OF THE REPLICATION FOCI-TARGETING SEQUENCE OF HUMAN DNA     
TITLE    2 CYTOSINE METHYLTRANSFERASE DNMT1                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DNA (CYTOSINE-5)-METHYLTRANSFERASE 1;                      
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: REPLICATION FOCI-TARGETING SEQUENCE;                       
COMPND   5 SYNONYM: DNMT1, MCMT, DNA METHYLTRANSFERASE HSAI, DNA MTASE HSAI,    
COMPND   6 M.HSAI, CXXC-TYPE ZINC FINGER PROTEIN 9;                             
COMPND   7 EC: 2.1.1.37;                                                        
COMPND   8 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: AIM, CXX9, CXXC9, DNMT, DNMT1;                                 
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28-MHL                                 
KEYWDS    WINGED HELIX DOMAIN, SH3-LIKE BARREL, CELL CYCLE, METAL BINDING, DNA  
KEYWDS   2 BINDING, DNA REPLICATION, TRANSCRIPTIONAL SILENCING, CHROMATIN,      
KEYWDS   3 PHOSPHORYLATION, TRANSCRIPTION, TRANSCRIPTION REGULATION,            
KEYWDS   4 TRANSFERASE, EPIGENETICS ZINC, ZINC-FINGER, METHYLTRANSFERASE,       
KEYWDS   5 NUCLEUS, PHOSPHOPROTEIN, REPRESSOR, S-ADENOSYL-L-METHIONINE,         
KEYWDS   6 STRUCTURAL GENOMICS, STRUCTURAL GENOMICS CONSORTIUM, SGC             
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.R.WALKER,G.V.AVVAKUMOV,S.XUE,Y.LI,C.BOUNTRA,J.WEIGELT,              
AUTHOR   2 C.H.ARROWSMITH,A.M.EDWARDS,A.BOCHKAREV,S.DHE-PAGANON,STRUCTURAL      
AUTHOR   3 GENOMICS CONSORTIUM (SGC)                                            
REVDAT   5   29-JUL-20 3EPZ    1       COMPND REMARK HETNAM LINK                
REVDAT   5 2                   1       SITE                                     
REVDAT   4   14-SEP-11 3EPZ    1       JRNL                                     
REVDAT   3   13-JUL-11 3EPZ    1       VERSN                                    
REVDAT   2   24-FEB-09 3EPZ    1       VERSN                                    
REVDAT   1   25-NOV-08 3EPZ    0                                                
JRNL        AUTH   F.SYEDA,R.L.FAGAN,M.WEAN,G.V.AVVAKUMOV,J.R.WALKER,S.XUE,     
JRNL        AUTH 2 S.DHE-PAGANON,C.BRENNER                                      
JRNL        TITL   THE REPLICATION FOCUS TARGETING SEQUENCE (RFTS) DOMAIN IS A  
JRNL        TITL 2 DNA-COMPETITIVE INHIBITOR OF DNMT1.                          
JRNL        REF    J.BIOL.CHEM.                  V. 286 15344 2011              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   21389349                                                     
JRNL        DOI    10.1074/JBC.M110.209882                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.31 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0044                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : NICHOLLS,WINN,LONG,VAGIN                             
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.31                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 48.11                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.5                           
REMARK   3   NUMBER OF REFLECTIONS             : 27330                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.216                           
REMARK   3   R VALUE            (WORKING SET) : 0.213                           
REMARK   3   FREE R VALUE                     : 0.264                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1473                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.31                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.37                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1908                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 95.13                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.2920                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 103                          
REMARK   3   BIN FREE R VALUE                    : 0.3360                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 3438                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 21                                      
REMARK   3   SOLVENT ATOMS            : 91                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 32.68                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -0.64000                                             
REMARK   3    B22 (A**2) : -1.19000                                             
REMARK   3    B33 (A**2) : 1.79000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : -0.51000                                             
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.261         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.224         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.170         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 14.965        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.948                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.915                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  3541 ; 0.009 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  4808 ; 1.154 ; 1.978       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   440 ; 5.646 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   151 ;38.697 ;25.232       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   553 ;16.684 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    10 ;24.841 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   541 ; 0.082 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  2677 ; 0.005 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  2242 ; 0.411 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  3602 ; 0.792 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  1299 ; 1.364 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  1206 ; 2.116 ; 4.500       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 26                                         
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   350        A   359                          
REMARK   3    ORIGIN FOR THE GROUP (A):  32.9509  14.1056 108.3979              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1949 T22:   0.2729                                     
REMARK   3      T33:   0.1698 T12:  -0.0119                                     
REMARK   3      T13:   0.0132 T23:  -0.0209                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.0691 L22:   8.7927                                     
REMARK   3      L33:   7.9240 L12:  -0.7358                                     
REMARK   3      L13:   0.1835 L23:   2.4146                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1545 S12:  -1.0454 S13:   0.1481                       
REMARK   3      S21:   1.0240 S22:  -0.0361 S23:   0.1820                       
REMARK   3      S31:   0.6037 S32:  -0.8256 S33:   0.1906                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   360        A   369                          
REMARK   3    ORIGIN FOR THE GROUP (A):  43.3521  16.0731 108.0479              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2419 T22:   0.2661                                     
REMARK   3      T33:   0.2844 T12:  -0.0352                                     
REMARK   3      T13:  -0.0389 T23:  -0.0279                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1850 L22:   3.2725                                     
REMARK   3      L33:   9.5483 L12:  -0.0664                                     
REMARK   3      L13:   0.5027 L23:  -1.0963                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1067 S12:  -0.8393 S13:  -0.0147                       
REMARK   3      S21:   0.5277 S22:  -0.0543 S23:  -0.2150                       
REMARK   3      S31:  -0.1756 S32:   0.5637 S33:  -0.0524                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   370        A   378                          
REMARK   3    ORIGIN FOR THE GROUP (A):  45.9939  21.1345  87.6727              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1804 T22:   0.2042                                     
REMARK   3      T33:   0.3099 T12:  -0.0284                                     
REMARK   3      T13:  -0.0031 T23:   0.0423                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.4554 L22:   3.7043                                     
REMARK   3      L33:   1.3481 L12:   2.6686                                     
REMARK   3      L13:   2.1509 L23:   1.5640                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.3119 S12:  -0.1836 S13:   0.3956                       
REMARK   3      S21:  -0.2485 S22:   0.0373 S23:  -0.1477                       
REMARK   3      S31:  -0.2185 S32:  -0.1273 S33:   0.2746                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   379        A   390                          
REMARK   3    ORIGIN FOR THE GROUP (A):  45.5307  18.1689  74.1829              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3738 T22:   0.4440                                     
REMARK   3      T33:   0.3235 T12:  -0.1525                                     
REMARK   3      T13:   0.1225 T23:   0.0082                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.1225 L22:   5.9416                                     
REMARK   3      L33:  11.5280 L12:  -3.3832                                     
REMARK   3      L13:  -3.3377 L23:   1.4551                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2246 S12:   0.7828 S13:  -0.1332                       
REMARK   3      S21:  -1.0847 S22:  -0.0502 S23:  -0.3826                       
REMARK   3      S31:   0.1234 S32:   1.1631 S33:   0.2748                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   401        A   427                          
REMARK   3    ORIGIN FOR THE GROUP (A):  41.2330   9.5627  92.9594              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1591 T22:   0.2076                                     
REMARK   3      T33:   0.2318 T12:  -0.0221                                     
REMARK   3      T13:   0.0080 T23:   0.0113                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9816 L22:   1.8561                                     
REMARK   3      L33:   1.8439 L12:  -0.6104                                     
REMARK   3      L13:  -0.4393 L23:  -0.0598                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0461 S12:   0.1447 S13:   0.0373                       
REMARK   3      S21:  -0.2174 S22:   0.0074 S23:  -0.1333                       
REMARK   3      S31:  -0.0008 S32:  -0.0248 S33:   0.0387                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   428        A   447                          
REMARK   3    ORIGIN FOR THE GROUP (A):  40.1013   9.8730  89.8847              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2211 T22:   0.2183                                     
REMARK   3      T33:   0.1967 T12:  -0.0013                                     
REMARK   3      T13:   0.0032 T23:   0.0014                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.5936 L22:   4.4925                                     
REMARK   3      L33:   0.8156 L12:   1.0697                                     
REMARK   3      L13:   0.7756 L23:  -0.1889                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1461 S12:   0.3520 S13:  -0.0665                       
REMARK   3      S21:  -0.3198 S22:   0.0267 S23:  -0.2798                       
REMARK   3      S31:   0.0425 S32:   0.0772 S33:   0.1194                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   451        A   488                          
REMARK   3    ORIGIN FOR THE GROUP (A):  42.1119   5.8969  86.7175              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1630 T22:   0.2209                                     
REMARK   3      T33:   0.2084 T12:  -0.0087                                     
REMARK   3      T13:   0.0428 T23:   0.0044                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.5174 L22:   3.8334                                     
REMARK   3      L33:   2.3176 L12:   0.6120                                     
REMARK   3      L13:   0.9352 L23:  -1.2196                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0110 S12:   0.1149 S13:  -0.2239                       
REMARK   3      S21:  -0.3721 S22:   0.0091 S23:  -0.3278                       
REMARK   3      S31:   0.2381 S32:   0.2188 S33:  -0.0201                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   489        A   515                          
REMARK   3    ORIGIN FOR THE GROUP (A):  43.7914  -1.6329  96.0970              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1345 T22:   0.2112                                     
REMARK   3      T33:   0.2925 T12:   0.0454                                     
REMARK   3      T13:  -0.0101 T23:   0.0210                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.0062 L22:   3.2549                                     
REMARK   3      L33:   1.1704 L12:   1.9835                                     
REMARK   3      L13:  -0.1080 L23:   0.8113                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0304 S12:   0.0610 S13:  -0.0481                       
REMARK   3      S21:   0.0222 S22:  -0.0546 S23:  -0.1884                       
REMARK   3      S31:   0.0192 S32:   0.0674 S33:   0.0242                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   516        A   549                          
REMARK   3    ORIGIN FOR THE GROUP (A):  43.7172 -14.7102  92.0284              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1101 T22:   0.1935                                     
REMARK   3      T33:   0.2926 T12:   0.0487                                     
REMARK   3      T13:   0.0648 T23:  -0.0272                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.4122 L22:   4.6399                                     
REMARK   3      L33:   2.8041 L12:   1.8418                                     
REMARK   3      L13:   0.6555 L23:   0.7146                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0613 S12:   0.1590 S13:  -0.1698                       
REMARK   3      S21:  -0.2226 S22:  -0.0256 S23:  -0.2711                       
REMARK   3      S31:   0.1890 S32:  -0.0046 S33:   0.0869                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   550        A   563                          
REMARK   3    ORIGIN FOR THE GROUP (A):  32.0416 -12.2172  97.7869              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1978 T22:   0.1887                                     
REMARK   3      T33:   0.2453 T12:  -0.0125                                     
REMARK   3      T13:   0.0346 T23:  -0.0091                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.6923 L22:   5.7001                                     
REMARK   3      L33:   7.4989 L12:   1.5780                                     
REMARK   3      L13:   1.3236 L23:  -2.7653                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1599 S12:  -0.2696 S13:   0.2360                       
REMARK   3      S21:   0.2297 S22:   0.1992 S23:   0.0218                       
REMARK   3      S31:  -0.0511 S32:  -0.4565 S33:  -0.0394                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   564        A   581                          
REMARK   3    ORIGIN FOR THE GROUP (A):  27.2504 -12.1749  85.9291              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2614 T22:   0.4246                                     
REMARK   3      T33:   0.2564 T12:   0.0326                                     
REMARK   3      T13:   0.0312 T23:   0.0062                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.1348 L22:   9.2944                                     
REMARK   3      L33:   1.8577 L12:  -1.3375                                     
REMARK   3      L13:   1.6839 L23:  -3.4356                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1201 S12:   0.4311 S13:   0.3611                       
REMARK   3      S21:  -0.3361 S22:   0.0442 S23:   0.1211                       
REMARK   3      S31:  -0.0514 S32:  -0.1565 S33:   0.0759                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   582        A   592                          
REMARK   3    ORIGIN FOR THE GROUP (A):  30.2092 -21.5261  99.1104              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1688 T22:   0.2113                                     
REMARK   3      T33:   0.2351 T12:  -0.0197                                     
REMARK   3      T13:   0.0171 T23:  -0.0114                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2423 L22:   2.6396                                     
REMARK   3      L33:   8.7270 L12:  -0.7132                                     
REMARK   3      L13:   2.3844 L23:  -2.9249                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1089 S12:   0.1296 S13:  -0.1593                       
REMARK   3      S21:   0.0165 S22:   0.0919 S23:  -0.0852                       
REMARK   3      S31:   0.3292 S32:   0.0902 S33:   0.0170                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A   593        A   599                          
REMARK   3    ORIGIN FOR THE GROUP (A):  36.1876 -25.3605 103.5648              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2586 T22:   0.3006                                     
REMARK   3      T33:   0.3673 T12:   0.0185                                     
REMARK   3      T13:   0.0019 T23:  -0.0411                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   3.9467 L22:  11.9852                                     
REMARK   3      L33:   8.1535 L12:  -3.5355                                     
REMARK   3      L13:  -3.8618 L23:   1.1423                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0808 S12:   0.0037 S13:  -0.6055                       
REMARK   3      S21:  -0.4231 S22:  -0.2473 S23:  -0.5685                       
REMARK   3      S31:   0.6344 S32:   0.6642 S33:   0.3281                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   342        B   360                          
REMARK   3    ORIGIN FOR THE GROUP (A):  21.2681   7.1494  41.5556              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5758 T22:   0.1546                                     
REMARK   3      T33:   0.3424 T12:  -0.0571                                     
REMARK   3      T13:  -0.2028 T23:  -0.0405                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.7753 L22:   4.1386                                     
REMARK   3      L33:   7.5056 L12:  -4.5068                                     
REMARK   3      L13:  -4.0197 L23:   1.4476                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2050 S12:   0.7164 S13:  -0.7293                       
REMARK   3      S21:   0.0758 S22:  -0.4383 S23:   0.4552                       
REMARK   3      S31:   0.5430 S32:  -0.9095 S33:   0.6433                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   361        B   372                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.0020  19.7984  41.5670              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   1.1971 T22:   0.2508                                     
REMARK   3      T33:   0.6743 T12:  -0.0065                                     
REMARK   3      T13:   0.2368 T23:  -0.0043                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  12.3046 L22:   6.4016                                     
REMARK   3      L33:   0.3961 L12:  -7.8753                                     
REMARK   3      L13:  -1.1401 L23:   0.1308                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4075 S12:   0.4149 S13:  -0.6193                       
REMARK   3      S21:   0.8320 S22:  -0.2544 S23:   1.0986                       
REMARK   3      S31:  -0.6007 S32:  -0.0578 S33:  -0.1532                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 16                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   373        B   408                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.8758  38.4140  51.4452              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5898 T22:   0.1516                                     
REMARK   3      T33:   0.2411 T12:   0.1451                                     
REMARK   3      T13:   0.0105 T23:   0.0061                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7103 L22:   4.6504                                     
REMARK   3      L33:   2.8393 L12:   1.0307                                     
REMARK   3      L13:  -2.0645 L23:   0.4520                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3201 S12:   0.3249 S13:   0.2569                       
REMARK   3      S21:   0.0505 S22:   0.0231 S23:   0.6668                       
REMARK   3      S31:  -0.7421 S32:  -0.1033 S33:  -0.3432                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 17                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   409        B   435                          
REMARK   3    ORIGIN FOR THE GROUP (A):  21.2378  20.3182  50.6407              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4934 T22:   0.2109                                     
REMARK   3      T33:   0.0449 T12:   0.0725                                     
REMARK   3      T13:  -0.0688 T23:   0.0350                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0150 L22:   6.6919                                     
REMARK   3      L33:   4.9864 L12:   0.6832                                     
REMARK   3      L13:  -2.1283 L23:  -0.1359                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1646 S12:   0.0715 S13:  -0.0081                       
REMARK   3      S21:  -0.5559 S22:   0.2093 S23:  -0.2238                       
REMARK   3      S31:  -0.0225 S32:  -0.3132 S33:  -0.0448                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 18                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   436        B   463                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.7522  33.8661  53.8113              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.4932 T22:   0.1205                                     
REMARK   3      T33:   0.2355 T12:   0.1072                                     
REMARK   3      T13:  -0.0802 T23:   0.0439                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.2486 L22:   4.7083                                     
REMARK   3      L33:   5.2181 L12:  -0.5492                                     
REMARK   3      L13:   0.3265 L23:   2.2009                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0410 S12:   0.1276 S13:   0.0565                       
REMARK   3      S21:  -0.0481 S22:  -0.1100 S23:   0.8468                       
REMARK   3      S31:  -0.6953 S32:  -0.6442 S33:   0.0691                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 19                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   464        B   488                          
REMARK   3    ORIGIN FOR THE GROUP (A):  19.3338  29.0277  60.9658              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.5178 T22:   0.1699                                     
REMARK   3      T33:   0.1030 T12:   0.1117                                     
REMARK   3      T13:  -0.0712 T23:   0.0270                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.2447 L22:   8.8241                                     
REMARK   3      L33:   2.0510 L12:   1.5878                                     
REMARK   3      L13:   0.6558 L23:  -2.4254                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0846 S12:  -0.2537 S13:  -0.0679                       
REMARK   3      S21:   0.4187 S22:   0.2451 S23:   0.5968                       
REMARK   3      S31:  -0.3493 S32:  -0.4224 S33:  -0.3297                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 20                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   489        B   505                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.8067  18.7093  56.5103              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.3328 T22:   0.3444                                     
REMARK   3      T33:   0.1545 T12:  -0.0100                                     
REMARK   3      T13:  -0.1813 T23:   0.0163                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.4046 L22:   8.3450                                     
REMARK   3      L33:   6.0256 L12:   0.0378                                     
REMARK   3      L13:   0.5679 L23:  -5.6799                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0447 S12:  -0.0886 S13:   0.0878                       
REMARK   3      S21:  -0.3864 S22:   0.3718 S23:   0.8225                       
REMARK   3      S31:   0.1033 S32:  -1.0594 S33:  -0.4166                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 21                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   506        B   514                          
REMARK   3    ORIGIN FOR THE GROUP (A):  19.7704  18.9601  69.4394              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2385 T22:   0.2465                                     
REMARK   3      T33:   0.2265 T12:   0.0283                                     
REMARK   3      T13:  -0.0104 T23:   0.0044                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.7459 L22:   2.2080                                     
REMARK   3      L33:   9.8671 L12:   1.7272                                     
REMARK   3      L13:   0.6645 L23:  -1.0442                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0266 S12:  -0.1136 S13:   0.0764                       
REMARK   3      S21:  -0.2268 S22:  -0.1378 S23:   0.3695                       
REMARK   3      S31:  -0.1046 S32:  -0.3150 S33:   0.1644                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 22                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   515        B   536                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.2426  20.3156  79.1862              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1920 T22:   0.2777                                     
REMARK   3      T33:   0.1956 T12:   0.0796                                     
REMARK   3      T13:  -0.0047 T23:  -0.0014                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   4.3050 L22:   0.9502                                     
REMARK   3      L33:   4.6672 L12:   0.7685                                     
REMARK   3      L13:  -0.3059 L23:  -0.8542                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0236 S12:   0.1355 S13:   0.3010                       
REMARK   3      S21:   0.0747 S22:  -0.0195 S23:   0.3833                       
REMARK   3      S31:  -0.6168 S32:  -0.4167 S33:  -0.0040                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 23                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   537        B   548                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.4914  14.5781  69.8850              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1669 T22:   1.1560                                     
REMARK   3      T33:   0.2756 T12:  -0.0438                                     
REMARK   3      T13:  -0.1962 T23:   0.2694                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.9101 L22:   1.7350                                     
REMARK   3      L33:   8.6640 L12:  -1.2447                                     
REMARK   3      L13:  -2.7558 L23:   3.8707                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3737 S12:   0.5852 S13:  -0.2213                       
REMARK   3      S21:  -0.3396 S22:  -0.8672 S23:   0.2178                       
REMARK   3      S31:  -0.7104 S32:  -2.2677 S33:   0.4934                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 24                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   549        B   568                          
REMARK   3    ORIGIN FOR THE GROUP (A):  26.2564  13.2835  70.2494              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2557 T22:   0.2556                                     
REMARK   3      T33:   0.1025 T12:   0.0493                                     
REMARK   3      T13:   0.0026 T23:   0.0735                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.3322 L22:   6.0618                                     
REMARK   3      L33:   6.7923 L12:   1.3616                                     
REMARK   3      L13:   1.6019 L23:  -0.1957                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1358 S12:   0.3328 S13:  -0.0058                       
REMARK   3      S21:  -0.3541 S22:  -0.0813 S23:  -0.3699                       
REMARK   3      S31:   0.3384 S32:   0.1902 S33:  -0.0545                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 25                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   569        B   587                          
REMARK   3    ORIGIN FOR THE GROUP (A):  30.2139  16.7800  79.4043              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2169 T22:   0.2650                                     
REMARK   3      T33:   0.1450 T12:  -0.0384                                     
REMARK   3      T13:  -0.0026 T23:   0.0070                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.3536 L22:   5.7538                                     
REMARK   3      L33:   3.6248 L12:  -1.1931                                     
REMARK   3      L13:   1.3399 L23:  -1.7764                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.4636 S12:   0.2676 S13:   0.2396                       
REMARK   3      S21:  -0.4555 S22:   0.4912 S23:  -0.2021                       
REMARK   3      S31:  -0.4920 S32:  -0.2994 S33:  -0.0276                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 26                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   B   588        B   597                          
REMARK   3    ORIGIN FOR THE GROUP (A):  32.9672   4.9619  74.7169              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2431 T22:   0.3215                                     
REMARK   3      T33:   0.3367 T12:   0.0677                                     
REMARK   3      T13:   0.0413 T23:   0.0157                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.6140 L22:   6.0076                                     
REMARK   3      L33:   1.7779 L12:   1.1383                                     
REMARK   3      L13:  -2.5765 L23:  -2.5630                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0440 S12:   1.0246 S13:   0.1108                       
REMARK   3      S21:  -0.7963 S22:   0.0671 S23:  -0.0317                       
REMARK   3      S31:   0.3161 S32:  -0.3454 S33:  -0.0230                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : BABINET MODEL WITH MASK                              
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B           
REMARK   3  FACTORS, ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U           
REMARK   3  FACTORS.                                                            
REMARK   4                                                                      
REMARK   4 3EPZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-OCT-08.                  
REMARK 100 THE DEPOSITION ID IS D_1000049630.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 27-JUL-08                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 6.00                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 23-ID-B                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.03320                            
REMARK 200  MONOCHROMATOR                  : DOUBLE CRYSTAL                     
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD QUANTUM 315   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 28832                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.1                               
REMARK 200  DATA REDUNDANCY                : 3.700                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.08500                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 16.6849                            
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     (%) : 91.6                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.00                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.97900                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.300                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD                          
REMARK 200 SOFTWARE USED: SOLVE                                                 
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: DATA SET USED FOR PHASING WAS COLLECTED AT 0.97937           
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 54.77                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.72                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 23 % PEG 3350, 0.1 M BIS-TRIS PH         
REMARK 280  6.0,0.2 M SODIUM ACETATE, 0.005 M TCEP, VAPOR DIFFUSION, HANGING    
REMARK 280  DROP, TEMPERATURE 298K, PH 6.00                                     
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y+1/2,-Z                                             
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       29.88400            
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1, 2                                                    
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: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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 350                                                                      
REMARK 350 BIOMOLECULE: 2                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B                                     
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     MSE A   333                                                      
REMARK 465     HIS A   334                                                      
REMARK 465     HIS A   335                                                      
REMARK 465     HIS A   336                                                      
REMARK 465     HIS A   337                                                      
REMARK 465     HIS A   338                                                      
REMARK 465     HIS A   339                                                      
REMARK 465     SER A   340                                                      
REMARK 465     SER A   341                                                      
REMARK 465     GLY A   342                                                      
REMARK 465     ARG A   343                                                      
REMARK 465     GLU A   344                                                      
REMARK 465     ASN A   345                                                      
REMARK 465     LEU A   346                                                      
REMARK 465     TYR A   347                                                      
REMARK 465     PHE A   348                                                      
REMARK 465     GLN A   349                                                      
REMARK 465     ALA A   391                                                      
REMARK 465     ASN A   392                                                      
REMARK 465     GLU A   393                                                      
REMARK 465     SER A   394                                                      
REMARK 465     GLY A   395                                                      
REMARK 465     PHE A   396                                                      
REMARK 465     GLU A   397                                                      
REMARK 465     SER A   398                                                      
REMARK 465     TYR A   399                                                      
REMARK 465     GLU A   400                                                      
REMARK 465     TYR A   443                                                      
REMARK 465     ASP A   444                                                      
REMARK 465     ASP A   445                                                      
REMARK 465     ASP A   446                                                      
REMARK 465     SER A   448                                                      
REMARK 465     LEU A   449                                                      
REMARK 465     GLU A   450                                                      
REMARK 465     PHE A   469                                                      
REMARK 465     ASP A   470                                                      
REMARK 465     GLY A   471                                                      
REMARK 465     SER A   570                                                      
REMARK 465     ASP A   571                                                      
REMARK 465     GLU A   572                                                      
REMARK 465     ARG A   600                                                      
REMARK 465     MSE B   333                                                      
REMARK 465     HIS B   334                                                      
REMARK 465     HIS B   335                                                      
REMARK 465     HIS B   336                                                      
REMARK 465     HIS B   337                                                      
REMARK 465     HIS B   338                                                      
REMARK 465     HIS B   339                                                      
REMARK 465     SER B   340                                                      
REMARK 465     SER B   341                                                      
REMARK 465     GLU B   344                                                      
REMARK 465     ASN B   345                                                      
REMARK 465     LEU B   346                                                      
REMARK 465     TYR B   347                                                      
REMARK 465     LYS B   385                                                      
REMARK 465     LEU B   386                                                      
REMARK 465     SER B   387                                                      
REMARK 465     ILE B   388                                                      
REMARK 465     PHE B   389                                                      
REMARK 465     ASP B   390                                                      
REMARK 465     ALA B   391                                                      
REMARK 465     ASN B   392                                                      
REMARK 465     GLU B   393                                                      
REMARK 465     SER B   394                                                      
REMARK 465     GLY B   395                                                      
REMARK 465     PHE B   396                                                      
REMARK 465     GLU B   397                                                      
REMARK 465     SER B   398                                                      
REMARK 465     TYR B   399                                                      
REMARK 465     GLU B   400                                                      
REMARK 465     ALA B   401                                                      
REMARK 465     PRO B   447                                                      
REMARK 465     SER B   448                                                      
REMARK 465     LEU B   449                                                      
REMARK 465     GLY B   468                                                      
REMARK 465     PHE B   469                                                      
REMARK 465     ASP B   470                                                      
REMARK 465     GLY B   471                                                      
REMARK 465     GLY B   472                                                      
REMARK 465     GLU B   473                                                      
REMARK 465     SER B   570                                                      
REMARK 465     ASP B   571                                                      
REMARK 465     GLU B   572                                                      
REMARK 465     GLN B   598                                                      
REMARK 465     ALA B   599                                                      
REMARK 465     ARG B   600                                                      
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     LYS A 385    CE   NZ                                             
REMARK 470     LEU A 386    CG   CD1  CD2                                       
REMARK 470     ILE A 388    CD1                                                 
REMARK 470     PHE A 389    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     LYS A 406    CD   CE   NZ                                        
REMARK 470     LYS A 440    CD   CE   NZ                                        
REMARK 470     GLU A 473    CG   CD   OE1  OE2                                  
REMARK 470     SER A 520    OG                                                  
REMARK 470     ASP A 521    CG   OD1  OD2                                       
REMARK 470     GLU A 525    CG   CD   OE1  OE2                                  
REMARK 470     GLN A 573    CG   CD   OE1  NE2                                  
REMARK 470     ARG A 582    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 586    CD   CE   NZ                                        
REMARK 470     GLN B 349    CG   CD   OE1  NE2                                  
REMARK 470     ASP B 361    CG   OD1  OD2                                       
REMARK 470     ASP B 362    CG   OD1  OD2                                       
REMARK 470     ASP B 364    CG   OD1  OD2                                       
REMARK 470     LYS B 366    CE   NZ                                             
REMARK 470     GLN B 404    CG   CD   OE1  NE2                                  
REMARK 470     LYS B 406    CD   CE   NZ                                        
REMARK 470     LYS B 429    CE   NZ                                             
REMARK 470     ASN B 430    OD1  ND2                                            
REMARK 470     LYS B 440    CE   NZ                                             
REMARK 470     ILE B 442    CG1  CG2  CD1                                       
REMARK 470     ASP B 444    CG   OD1  OD2                                       
REMARK 470     GLU B 450    CG   CD   OE1  OE2                                  
REMARK 470     LYS B 474    CG   CD   CE   NZ                                   
REMARK 470     SER B 538    OG                                                  
REMARK 470     ASN B 541    CG   OD1  ND2                                       
REMARK 470     GLU B 559    CG   CD   OE1  OE2                                  
REMARK 470     GLU B 566    CG   CD   OE1  OE2                                  
REMARK 470     GLN B 573    CG   CD   OE1  NE2                                  
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    GLU A 473       11.70     59.48                                   
REMARK 500    MSE A 489     -106.35    -95.48                                   
REMARK 500    GLN B 349       31.88     70.22                                   
REMARK 500    LYS B 429        8.33    -68.57                                   
REMARK 500    MSE B 489      -88.58   -110.91                                   
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                              NA A   1  NA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLY A 500   O                                                      
REMARK 620 2 MSE A 502   O   119.1                                              
REMARK 620 3 LEU A 540   O    80.2 107.7                                        
REMARK 620 4 ASN A 541   O   100.9 139.9  74.7                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A 701  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A 353   SG                                                     
REMARK 620 2 CYS A 356   SG  106.9                                              
REMARK 620 3 CYS A 414   SG  118.7 119.6                                        
REMARK 620 4 HIS A 418   ND1  97.8 110.0 101.1                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN B 701  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS B 353   SG                                                     
REMARK 620 2 CYS B 356   SG  126.0                                              
REMARK 620 3 CYS B 414   SG  110.7 110.5                                        
REMARK 620 4 HIS B 418   ND1 103.7 100.6 101.5                                  
REMARK 620 N                    1     2     3                                   
DBREF  3EPZ A  351   600  UNP    P26358   DNMT1_HUMAN    351    600             
DBREF  3EPZ B  351   600  UNP    P26358   DNMT1_HUMAN    351    600             
SEQADV 3EPZ MSE A  333  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS A  334  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS A  335  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS A  336  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS A  337  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS A  338  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS A  339  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ SER A  340  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ SER A  341  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLY A  342  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ ARG A  343  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLU A  344  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ ASN A  345  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ LEU A  346  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ TYR A  347  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ PHE A  348  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLN A  349  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLY A  350  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ MSE B  333  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS B  334  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS B  335  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS B  336  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS B  337  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS B  338  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ HIS B  339  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ SER B  340  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ SER B  341  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLY B  342  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ ARG B  343  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLU B  344  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ ASN B  345  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ LEU B  346  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ TYR B  347  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ PHE B  348  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLN B  349  UNP  P26358              EXPRESSION TAG                 
SEQADV 3EPZ GLY B  350  UNP  P26358              EXPRESSION TAG                 
SEQRES   1 A  268  MSE HIS HIS HIS HIS HIS HIS SER SER GLY ARG GLU ASN          
SEQRES   2 A  268  LEU TYR PHE GLN GLY PRO LYS CYS ILE GLN CYS GLY GLN          
SEQRES   3 A  268  TYR LEU ASP ASP PRO ASP LEU LYS TYR GLY GLN HIS PRO          
SEQRES   4 A  268  PRO ASP ALA VAL ASP GLU PRO GLN MSE LEU THR ASN GLU          
SEQRES   5 A  268  LYS LEU SER ILE PHE ASP ALA ASN GLU SER GLY PHE GLU          
SEQRES   6 A  268  SER TYR GLU ALA LEU PRO GLN HIS LYS LEU THR CYS PHE          
SEQRES   7 A  268  SER VAL TYR CYS LYS HIS GLY HIS LEU CYS PRO ILE ASP          
SEQRES   8 A  268  THR GLY LEU ILE GLU LYS ASN ILE GLU LEU PHE PHE SER          
SEQRES   9 A  268  GLY SER ALA LYS PRO ILE TYR ASP ASP ASP PRO SER LEU          
SEQRES  10 A  268  GLU GLY GLY VAL ASN GLY LYS ASN LEU GLY PRO ILE ASN          
SEQRES  11 A  268  GLU TRP TRP ILE THR GLY PHE ASP GLY GLY GLU LYS ALA          
SEQRES  12 A  268  LEU ILE GLY PHE SER THR SER PHE ALA GLU TYR ILE LEU          
SEQRES  13 A  268  MSE ASP PRO SER PRO GLU TYR ALA PRO ILE PHE GLY LEU          
SEQRES  14 A  268  MSE GLN GLU LYS ILE TYR ILE SER LYS ILE VAL VAL GLU          
SEQRES  15 A  268  PHE LEU GLN SER ASN SER ASP SER THR TYR GLU ASP LEU          
SEQRES  16 A  268  ILE ASN LYS ILE GLU THR THR VAL PRO PRO SER GLY LEU          
SEQRES  17 A  268  ASN LEU ASN ARG PHE THR GLU ASP SER LEU LEU ARG HIS          
SEQRES  18 A  268  ALA GLN PHE VAL VAL GLU GLN VAL GLU SER TYR ASP GLU          
SEQRES  19 A  268  ALA GLY ASP SER ASP GLU GLN PRO ILE PHE LEU THR PRO          
SEQRES  20 A  268  CYS MSE ARG ASP LEU ILE LYS LEU ALA GLY VAL THR LEU          
SEQRES  21 A  268  GLY GLN ARG ARG ALA GLN ALA ARG                              
SEQRES   1 B  268  MSE HIS HIS HIS HIS HIS HIS SER SER GLY ARG GLU ASN          
SEQRES   2 B  268  LEU TYR PHE GLN GLY PRO LYS CYS ILE GLN CYS GLY GLN          
SEQRES   3 B  268  TYR LEU ASP ASP PRO ASP LEU LYS TYR GLY GLN HIS PRO          
SEQRES   4 B  268  PRO ASP ALA VAL ASP GLU PRO GLN MSE LEU THR ASN GLU          
SEQRES   5 B  268  LYS LEU SER ILE PHE ASP ALA ASN GLU SER GLY PHE GLU          
SEQRES   6 B  268  SER TYR GLU ALA LEU PRO GLN HIS LYS LEU THR CYS PHE          
SEQRES   7 B  268  SER VAL TYR CYS LYS HIS GLY HIS LEU CYS PRO ILE ASP          
SEQRES   8 B  268  THR GLY LEU ILE GLU LYS ASN ILE GLU LEU PHE PHE SER          
SEQRES   9 B  268  GLY SER ALA LYS PRO ILE TYR ASP ASP ASP PRO SER LEU          
SEQRES  10 B  268  GLU GLY GLY VAL ASN GLY LYS ASN LEU GLY PRO ILE ASN          
SEQRES  11 B  268  GLU TRP TRP ILE THR GLY PHE ASP GLY GLY GLU LYS ALA          
SEQRES  12 B  268  LEU ILE GLY PHE SER THR SER PHE ALA GLU TYR ILE LEU          
SEQRES  13 B  268  MSE ASP PRO SER PRO GLU TYR ALA PRO ILE PHE GLY LEU          
SEQRES  14 B  268  MSE GLN GLU LYS ILE TYR ILE SER LYS ILE VAL VAL GLU          
SEQRES  15 B  268  PHE LEU GLN SER ASN SER ASP SER THR TYR GLU ASP LEU          
SEQRES  16 B  268  ILE ASN LYS ILE GLU THR THR VAL PRO PRO SER GLY LEU          
SEQRES  17 B  268  ASN LEU ASN ARG PHE THR GLU ASP SER LEU LEU ARG HIS          
SEQRES  18 B  268  ALA GLN PHE VAL VAL GLU GLN VAL GLU SER TYR ASP GLU          
SEQRES  19 B  268  ALA GLY ASP SER ASP GLU GLN PRO ILE PHE LEU THR PRO          
SEQRES  20 B  268  CYS MSE ARG ASP LEU ILE LYS LEU ALA GLY VAL THR LEU          
SEQRES  21 B  268  GLY GLN ARG ARG ALA GLN ALA ARG                              
MODRES 3EPZ MSE A  380  MET  SELENOMETHIONINE                                   
MODRES 3EPZ MSE A  489  MET  SELENOMETHIONINE                                   
MODRES 3EPZ MSE A  502  MET  SELENOMETHIONINE                                   
MODRES 3EPZ MSE A  581  MET  SELENOMETHIONINE                                   
MODRES 3EPZ MSE B  380  MET  SELENOMETHIONINE                                   
MODRES 3EPZ MSE B  489  MET  SELENOMETHIONINE                                   
MODRES 3EPZ MSE B  502  MET  SELENOMETHIONINE                                   
MODRES 3EPZ MSE B  581  MET  SELENOMETHIONINE                                   
HET    MSE  A 380       8                                                       
HET    MSE  A 489       8                                                       
HET    MSE  A 502       8                                                       
HET    MSE  A 581       8                                                       
HET    MSE  B 380       8                                                       
HET    MSE  B 489       8                                                       
HET    MSE  B 502       8                                                       
HET    MSE  B 581       8                                                       
HET     ZN  A 701       1                                                       
HET    BGC  A 702      12                                                       
HET    GOL  A 703       6                                                       
HET     NA  A   1       1                                                       
HET     ZN  B 701       1                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
HETNAM      ZN ZINC ION                                                         
HETNAM     BGC BETA-D-GLUCOPYRANOSE                                             
HETNAM     GOL GLYCEROL                                                         
HETNAM      NA SODIUM ION                                                       
HETSYN     GOL GLYCERIN; PROPANE-1,2,3-TRIOL                                    
FORMUL   1  MSE    8(C5 H11 N O2 SE)                                            
FORMUL   3   ZN    2(ZN 2+)                                                     
FORMUL   4  BGC    C6 H12 O6                                                    
FORMUL   5  GOL    C3 H8 O3                                                     
FORMUL   6   NA    NA 1+                                                        
FORMUL   8  HOH   *91(H2 O)                                                     
HELIX    1   2 TYR A  495  GLY A  500  1                                   6    
HELIX    2   3 GLN A  503  ASN A  519  1                                  17    
HELIX    3   4 THR A  523  THR A  534  1                                  12    
HELIX    4   5 PRO A  537  ASN A  541  5                                   5    
HELIX    5   6 THR A  546  ARG A  552  1                                   7    
HELIX    6   7 HIS A  553  ALA A  567  1                                  15    
HELIX    7   8 PRO A  574  LEU A  577  5                                   4    
HELIX    8   9 THR A  578  ALA A  588  1                                  11    
HELIX    9  10 THR A  591  ALA A  597  1                                   7    
HELIX   10  11 ASP B  376  THR B  382  1                                   7    
HELIX   11  12 TYR B  495  GLY B  500  1                                   6    
HELIX   12  13 GLN B  503  ASN B  519  1                                  17    
HELIX   13  14 THR B  523  THR B  534  1                                  12    
HELIX   14  15 PRO B  537  ASN B  541  5                                   5    
HELIX   15  16 THR B  546  HIS B  553  1                                   8    
HELIX   16  17 HIS B  553  GLU B  566  1                                  14    
HELIX   17  18 THR B  578  GLY B  589  1                                  12    
HELIX   18  19 THR B  591  ARG B  596  1                                   6    
SHEET    1   A 6 VAL A 453  LEU A 458  0                                        
SHEET    2   A 6 PHE A 434  PRO A 441 -1  N  GLY A 437   O  GLY A 455           
SHEET    3   A 6 HIS A 405  TYR A 413 -1  N  TYR A 413   O  PHE A 434           
SHEET    4   A 6 GLU A 485  LEU A 488  1  O  ILE A 487   N  HIS A 405           
SHEET    5   A 6 ILE A 477  SER A 480 -1  N  ILE A 477   O  LEU A 488           
SHEET    6   A 6 GLU A 463  ILE A 466 -1  N  GLU A 463   O  SER A 480           
SHEET    1   B 6 VAL B 453  GLY B 455  0                                        
SHEET    2   B 6 PHE B 434  LYS B 440 -1  N  ALA B 439   O  VAL B 453           
SHEET    3   B 6 GLN B 404  TYR B 413 -1  N  TYR B 413   O  PHE B 434           
SHEET    4   B 6 GLU B 485  LEU B 488  1  O  ILE B 487   N  HIS B 405           
SHEET    5   B 6 LEU B 476  SER B 480 -1  N  ILE B 477   O  LEU B 488           
SHEET    6   B 6 GLU B 463  THR B 467 -1  N  TRP B 465   O  GLY B 478           
LINK         C   GLN A 379                 N   MSE A 380     1555   1555  1.33  
LINK         C   MSE A 380                 N   LEU A 381     1555   1555  1.33  
LINK         C   LEU A 488                 N   MSE A 489     1555   1555  1.34  
LINK         C   MSE A 489                 N   ASP A 490     1555   1555  1.33  
LINK         C   LEU A 501                 N   MSE A 502     1555   1555  1.33  
LINK         C   MSE A 502                 N   GLN A 503     1555   1555  1.33  
LINK         C   CYS A 580                 N   MSE A 581     1555   1555  1.34  
LINK         C   MSE A 581                 N   ARG A 582     1555   1555  1.34  
LINK         C   GLN B 379                 N   MSE B 380     1555   1555  1.33  
LINK         C   MSE B 380                 N   LEU B 381     1555   1555  1.33  
LINK         C   LEU B 488                 N   MSE B 489     1555   1555  1.33  
LINK         C   MSE B 489                 N   ASP B 490     1555   1555  1.33  
LINK         C   LEU B 501                 N   MSE B 502     1555   1555  1.33  
LINK         C   MSE B 502                 N   GLN B 503     1555   1555  1.33  
LINK         C   CYS B 580                 N   MSE B 581     1555   1555  1.33  
LINK         C   MSE B 581                 N   ARG B 582     1555   1555  1.33  
LINK        NA    NA A   1                 O   GLY A 500     1555   1555  2.43  
LINK        NA    NA A   1                 O   MSE A 502     1555   1555  2.68  
LINK        NA    NA A   1                 O   LEU A 540     1555   1555  2.37  
LINK        NA    NA A   1                 O   ASN A 541     1555   1555  3.08  
LINK         SG  CYS A 353                ZN    ZN A 701     1555   1555  2.39  
LINK         SG  CYS A 356                ZN    ZN A 701     1555   1555  2.19  
LINK         SG  CYS A 414                ZN    ZN A 701     1555   1555  2.25  
LINK         ND1 HIS A 418                ZN    ZN A 701     1555   1555  2.10  
LINK         SG  CYS B 353                ZN    ZN B 701     1555   1555  2.29  
LINK         SG  CYS B 356                ZN    ZN B 701     1555   1555  2.61  
LINK         SG  CYS B 414                ZN    ZN B 701     1555   1555  2.47  
LINK         ND1 HIS B 418                ZN    ZN B 701     1555   1555  2.04  
CISPEP   1 GLY A  459    PRO A  460          0         9.55                     
CISPEP   2 GLY B  459    PRO B  460          0        -4.82                     
CRYST1   57.544   59.768   96.286  90.00  92.31  90.00 P 1 21 1      4          
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      0.017378  0.000000  0.000701        0.00000                         
SCALE2      0.000000  0.016731  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.010394        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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