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Database: PDB
Entry: 3FL2
LinkDB: 3FL2
Original site: 3FL2 
HEADER    LIGASE                                  18-DEC-08   3FL2              
TITLE     CRYSTAL STRUCTURE OF THE RING DOMAIN OF THE E3 UBIQUITIN-PROTEIN      
TITLE    2 LIGASE UHRF1                                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE UHRF1;                         
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RING DOMAIN (UNP RESIDUES 672-793);                        
COMPND   5 SYNONYM: UBIQUITIN-LIKE PHD AND RING FINGER DOMAIN-CONTAINING PROTEIN
COMPND   6 1, UBIQUITIN-LIKE-CONTAINING PHD AND RING FINGER DOMAINS PROTEIN 1,  
COMPND   7 INVERTED CCAAT BOX-BINDING PROTEIN OF 90 KDA, TRANSCRIPTION FACTOR   
COMPND   8 ICBP90, NUCLEAR ZINC FINGER PROTEIN NP95, NUCLEAR PROTEIN 95, HUNP95,
COMPND   9 RING FINGER PROTEIN 106;                                             
COMPND  10 EC: 6.3.2.-;                                                         
COMPND  11 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: ICBP90, NP95, RNF106, UHRF1;                                   
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: PET28A-LIC                                
KEYWDS    CELL CYCLE, DNA DAMAGE, DNA REPAIR, RING FINGER DOMAIN, LIGASE, METAL 
KEYWDS   2 BINDING, DNA REPLICATION, TRANSCRIPTIONAL SILENCING, CHROMATIN,      
KEYWDS   3 PHOSPHORYLATION, TRANSCRIPTION, TRANSCRIPTION REGULATION, UBL        
KEYWDS   4 CONJUGATION, UBL CONJUGATION PATHWAY, ZINC, ZINC-FINGER,             
KEYWDS   5 EPIGENETICS, STRUCTURAL GENOMICS, STRUCTURAL GENOMICS CONSORTIUM,    
KEYWDS   6 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   3   06-SEP-23 3FL2    1       SEQADV                                   
REVDAT   2   01-NOV-17 3FL2    1       REMARK                                   
REVDAT   1   20-JAN-09 3FL2    0                                                
JRNL        AUTH   J.R.WALKER,G.V.AVVAKUMOV,S.XUE,Y.LI,C.BOUNTRA,J.WEIGELT,     
JRNL        AUTH 2 C.H.ARROWSMITH,A.M.EDWARDS,A.BOCHKAREV,S.DHE-PAGANON         
JRNL        TITL   STRUCTURE OF THE RING DOMAIN OF THE E3 UBIQUITIN-PROTEIN     
JRNL        TITL 2 LIGASE UHRF1                                                 
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.75 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.5.0063                                      
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) : 1.75                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 10426                          
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) : 0.187                           
REMARK   3   R VALUE            (WORKING SET) : 0.183                           
REMARK   3   FREE R VALUE                     : 0.250                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.800                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 525                             
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) : 1.75                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.80                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 754                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 99.87                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.1930                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 30                           
REMARK   3   BIN FREE R VALUE                    : 0.2020                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 907                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 2                                       
REMARK   3   SOLVENT ATOMS            : 96                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 15.85                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -1.94000                                             
REMARK   3    B22 (A**2) : 0.37000                                              
REMARK   3    B33 (A**2) : 1.56000                                              
REMARK   3    B12 (A**2) : 0.00000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.130         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.138         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.081         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.655         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.961                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.925                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   932 ; 0.015 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1250 ; 1.500 ; 1.958       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  NULL ;  NULL ;  NULL       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   114 ; 5.859 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    44 ;37.206 ;24.091       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   155 ;11.981 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     7 ;11.983 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   139 ; 0.098 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   708 ; 0.008 ; 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):   580 ; 1.727 ; 3.000       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):   935 ; 2.419 ; 4.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   352 ; 3.951 ; 5.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   315 ; 5.665 ; 7.000       
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  : 13                                         
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   675        A   680                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.9815  15.2735   2.6265              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2150 T22:   0.3401                                     
REMARK   3      T33:   0.2441 T12:  -0.0244                                     
REMARK   3      T13:   0.0119 T23:  -0.0850                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2736 L22:  10.9231                                     
REMARK   3      L33:  20.7779 L12:   1.0348                                     
REMARK   3      L13:  -0.5350 L23:  -0.8833                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0945 S12:   0.1958 S13:  -0.1522                       
REMARK   3      S21:  -0.2294 S22:  -0.0592 S23:  -0.1880                       
REMARK   3      S31:   0.2276 S32:   0.3448 S33:   0.1536                       
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   681        A   693                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.6760  21.7238  12.9025              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1390 T22:   0.0978                                     
REMARK   3      T33:   0.1584 T12:  -0.0014                                     
REMARK   3      T13:   0.0004 T23:   0.0560                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.2810 L22:   4.4344                                     
REMARK   3      L33:   9.0049 L12:   0.5563                                     
REMARK   3      L13:   1.6003 L23:  -0.1472                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1344 S12:   0.4740 S13:   0.1745                       
REMARK   3      S21:  -0.1597 S22:  -0.0413 S23:   0.2118                       
REMARK   3      S31:  -0.3526 S32:   0.3543 S33:   0.1757                       
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   694        A   711                          
REMARK   3    ORIGIN FOR THE GROUP (A):  26.0875  11.4813   5.8139              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.2630 T22:   0.2641                                     
REMARK   3      T33:   0.2518 T12:   0.0194                                     
REMARK   3      T13:   0.0216 T23:   0.0271                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.2923 L22:   5.0884                                     
REMARK   3      L33:   2.6207 L12:  -0.5320                                     
REMARK   3      L13:  -0.6331 L23:   3.4181                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0267 S12:  -0.1010 S13:   0.0067                       
REMARK   3      S21:  -0.2982 S22:   0.2274 S23:  -0.4159                       
REMARK   3      S31:  -0.1849 S32:   0.2218 S33:  -0.2541                       
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   712        A   725                          
REMARK   3    ORIGIN FOR THE GROUP (A):  23.4847   8.2038  14.2880              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1461 T22:   0.1392                                     
REMARK   3      T33:   0.1774 T12:   0.0430                                     
REMARK   3      T13:   0.0326 T23:   0.0007                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.6879 L22:   1.3327                                     
REMARK   3      L33:   8.8535 L12:  -0.4589                                     
REMARK   3      L13:  -0.2636 L23:   1.4153                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0704 S12:   0.0955 S13:  -0.0070                       
REMARK   3      S21:  -0.1283 S22:  -0.1333 S23:  -0.1887                       
REMARK   3      S31:   0.3080 S32:   0.1755 S33:   0.0629                       
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   726        A   731                          
REMARK   3    ORIGIN FOR THE GROUP (A):  19.8315   5.2700  24.1930              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1304 T22:   0.1375                                     
REMARK   3      T33:   0.1726 T12:  -0.0091                                     
REMARK   3      T13:   0.0194 T23:  -0.0017                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   6.0461 L22:   7.1059                                     
REMARK   3      L33:  20.4486 L12:  -1.4442                                     
REMARK   3      L13:   7.6894 L23:  -3.4873                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2852 S12:  -0.0104 S13:  -0.5213                       
REMARK   3      S21:  -0.0176 S22:  -0.1334 S23:  -0.2532                       
REMARK   3      S31:   0.9210 S32:   0.4155 S33:  -0.1518                       
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   732        A   740                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.4802  16.8317  25.3834              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1105 T22:   0.0578                                     
REMARK   3      T33:   0.0899 T12:   0.0172                                     
REMARK   3      T13:   0.0338 T23:  -0.0155                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   8.3805 L22:   4.9709                                     
REMARK   3      L33:   1.5620 L12:   4.1290                                     
REMARK   3      L13:   3.2821 L23:   2.1504                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0355 S12:  -0.1753 S13:   0.2693                       
REMARK   3      S21:   0.0702 S22:  -0.0822 S23:   0.1596                       
REMARK   3      S31:  -0.0055 S32:  -0.1398 S33:   0.0467                       
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   741        A   745                          
REMARK   3    ORIGIN FOR THE GROUP (A):  18.9575  14.2293  26.7629              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1106 T22:   0.1032                                     
REMARK   3      T33:   0.1100 T12:   0.0102                                     
REMARK   3      T13:   0.0050 T23:  -0.0067                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.9780 L22:   4.0860                                     
REMARK   3      L33:   1.2527 L12:   3.6333                                     
REMARK   3      L13:  -0.2954 L23:  -0.7881                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0435 S12:  -0.3345 S13:   0.1489                       
REMARK   3      S21:   0.0923 S22:  -0.0205 S23:  -0.0724                       
REMARK   3      S31:   0.0558 S32:  -0.0830 S33:   0.0640                       
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   746        A   751                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.9907  10.2448  33.8324              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1394 T22:   0.1446                                     
REMARK   3      T33:   0.1456 T12:   0.0047                                     
REMARK   3      T13:   0.0148 T23:   0.0073                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   9.9313 L22:   4.7459                                     
REMARK   3      L33:  16.3730 L12:  -0.6046                                     
REMARK   3      L13:   2.8428 L23:   1.7204                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0799 S12:  -0.3412 S13:  -0.2355                       
REMARK   3      S21:   0.2934 S22:  -0.1060 S23:   0.3882                       
REMARK   3      S31:   0.3993 S32:  -0.6512 S33:   0.0261                       
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   752        A   757                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.4188  13.6469  40.5327              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1855 T22:   0.2267                                     
REMARK   3      T33:   0.1345 T12:  -0.0178                                     
REMARK   3      T13:   0.0159 T23:  -0.0267                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   5.0618 L22:   9.3367                                     
REMARK   3      L33:  11.9961 L12:  -0.5487                                     
REMARK   3      L13:  -4.0219 L23:  -5.0798                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0018 S12:  -0.2175 S13:  -0.2011                       
REMARK   3      S21:  -0.0124 S22:  -0.0507 S23:   0.4297                       
REMARK   3      S31:   0.3891 S32:  -0.4409 S33:   0.0490                       
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   758        A   767                          
REMARK   3    ORIGIN FOR THE GROUP (A):  25.3781  17.6341  34.3644              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1278 T22:   0.1250                                     
REMARK   3      T33:   0.1317 T12:  -0.0089                                     
REMARK   3      T13:   0.0173 T23:  -0.0379                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.7393 L22:   4.1404                                     
REMARK   3      L33:   3.8305 L12:  -3.0225                                     
REMARK   3      L13:  -1.7065 L23:  -0.5675                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0484 S12:  -0.4435 S13:   0.2658                       
REMARK   3      S21:   0.2667 S22:   0.0787 S23:  -0.0038                       
REMARK   3      S31:  -0.1884 S32:  -0.0217 S33:  -0.1271                       
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   768        A   773                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.7845  21.4042  34.5975              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1758 T22:   0.2042                                     
REMARK   3      T33:   0.2083 T12:  -0.0113                                     
REMARK   3      T13:   0.0244 T23:   0.0019                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.9233 L22:   6.5947                                     
REMARK   3      L33:  14.8664 L12:  -0.0140                                     
REMARK   3      L13:  -2.3100 L23:   2.5416                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0206 S12:  -0.2141 S13:  -0.1944                       
REMARK   3      S21:   0.0340 S22:  -0.0750 S23:   0.1266                       
REMARK   3      S31:   0.3534 S32:  -0.4345 S33:   0.0544                       
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   774        A   781                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.1475  16.5782  17.9303              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0906 T22:   0.1042                                     
REMARK   3      T33:   0.1352 T12:   0.0240                                     
REMARK   3      T13:   0.0208 T23:   0.0139                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   2.2945 L22:   5.8722                                     
REMARK   3      L33:   9.8270 L12:   0.5351                                     
REMARK   3      L13:   2.6180 L23:   1.2095                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0291 S12:  -0.0030 S13:   0.1285                       
REMARK   3      S21:   0.0664 S22:  -0.0039 S23:   0.2241                       
REMARK   3      S31:  -0.2154 S32:  -0.3515 S33:   0.0329                       
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   782        A   793                          
REMARK   3    ORIGIN FOR THE GROUP (A):  11.5590   6.5216  15.9121              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1157 T22:   0.0810                                     
REMARK   3      T33:   0.1214 T12:   0.0134                                     
REMARK   3      T13:  -0.0014 T23:  -0.0327                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.1164 L22:   2.2881                                     
REMARK   3      L33:   2.4719 L12:   1.0416                                     
REMARK   3      L13:  -2.0197 L23:   0.3536                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0034 S12:   0.2760 S13:  -0.2324                       
REMARK   3      S21:  -0.1665 S22:  -0.0725 S23:  -0.0948                       
REMARK   3      S31:   0.1458 S32:   0.0361 S33:   0.0690                       
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 3FL2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-DEC-08.                  
REMARK 100 THE DEPOSITION ID IS D_1000050721.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-DEC-08                          
REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU FR-E SUPERBRIGHT            
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.54178                            
REMARK 200  MONOCHROMATOR                  : GRAPHITE                           
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU RAXIS IV                    
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 11019                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.750                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.8                               
REMARK 200  DATA REDUNDANCY                : 5.200                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : 0.04000                            
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 43.7800                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.81                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 5.20                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : 0.17800                            
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 10.76                              
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: 1Z6U                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 34.40                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.88                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 27% PEG MME 2000, 0.1 M TRIS-HCL, PH     
REMARK 280  8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-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       22.86800            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       24.20450            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       23.45800            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       24.20450            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       22.86800            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       23.45800            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
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: 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 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     GLY A   670                                                      
REMARK 465     SER A   671                                                      
REMARK 465     GLU A   672                                                      
REMARK 465     PRO A   673                                                      
REMARK 465     TYR A   674                                                      
REMARK 465     LEU A   701                                                      
REMARK 465     LYS A   702                                                      
REMARK 465     ASP A   703                                                      
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     ARG A 704    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     GLN A 773    CD   OE1  NE2                                       
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 A1001  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A 724   SG                                                     
REMARK 620 2 CYS A 727   SG  110.7                                              
REMARK 620 3 CYS A 744   SG  102.9 105.7                                        
REMARK 620 4 CYS A 747   SG  114.0 109.0 114.2                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN A1002  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A 739   SG                                                     
REMARK 620 2 HIS A 741   ND1 120.5                                              
REMARK 620 3 CYS A 759   SG  103.0 111.6                                        
REMARK 620 4 CYS A 762   SG  103.0 104.5 114.3                                  
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 A1001                  
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A1002                  
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 3BI7   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE SRA DOMAIN OF E3 UBIQUITIN-PROTEIN LIGASE   
REMARK 900 UHRF1                                                                
REMARK 900 RELATED ID: 3CLZ   RELATED DB: PDB                                   
REMARK 900 THE SET AND RING ASSOCIATED (SRA) DOMAIN OF UHRF1 BOUND TO           
REMARK 900 METHYLATED DNA                                                       
REMARK 900 RELATED ID: 2FAZ   RELATED DB: PDB                                   
REMARK 900 UBIQUITIN-LIKE DOMAIN OF HUMAN NUCLEAR ZINC FINGER PROTEIN NP95      
REMARK 900 RELATED ID: 3DB4   RELATED DB: PDB                                   
REMARK 900 STRUCTURE OF THE TANDEM TUDOR DOMAINS OF THE E3 UBIQUITIN- PROTEIN   
REMARK 900 LIGASE UHRF1                                                         
REMARK 900 RELATED ID: 3DB3   RELATED DB: PDB                                   
REMARK 900 CRYSTAL STRUCTURE OF THE TANDEM TUDOR DOMAINS OF THE E3 UBIQUITIN-   
REMARK 900 PROTEIN LIGASE UHRF1 IN COMPLEX WITH TRIMETHYLATED HISTONE H3-K9     
REMARK 900 PEPTIDE                                                              
DBREF  3FL2 A  672   793  UNP    Q96T88   UHRF1_HUMAN    672    793             
SEQADV 3FL2 GLY A  670  UNP  Q96T88              EXPRESSION TAG                 
SEQADV 3FL2 SER A  671  UNP  Q96T88              EXPRESSION TAG                 
SEQRES   1 A  124  GLY SER GLU PRO TYR SER LEU THR ALA GLN GLN SER SER          
SEQRES   2 A  124  LEU ILE ARG GLU ASP LYS SER ASN ALA LYS LEU TRP ASN          
SEQRES   3 A  124  GLU VAL LEU ALA SER LEU LYS ASP ARG PRO ALA SER GLY          
SEQRES   4 A  124  SER PRO PHE GLN LEU PHE LEU SER LYS VAL GLU GLU THR          
SEQRES   5 A  124  PHE GLN CYS ILE CYS CYS GLN GLU LEU VAL PHE ARG PRO          
SEQRES   6 A  124  ILE THR THR VAL CYS GLN HIS ASN VAL CYS LYS ASP CYS          
SEQRES   7 A  124  LEU ASP ARG SER PHE ARG ALA GLN VAL PHE SER CYS PRO          
SEQRES   8 A  124  ALA CYS ARG TYR ASP LEU GLY ARG SER TYR ALA MET GLN          
SEQRES   9 A  124  VAL ASN GLN PRO LEU GLN THR VAL LEU ASN GLN LEU PHE          
SEQRES  10 A  124  PRO GLY TYR GLY ASN GLY ARG                                  
HET     ZN  A1001       1                                                       
HET     ZN  A1002       1                                                       
HETNAM      ZN ZINC ION                                                         
FORMUL   2   ZN    2(ZN 2+)                                                     
FORMUL   4  HOH   *96(H2 O)                                                     
HELIX    1   1 THR A  677  ASP A  687  1                                  11    
HELIX    2   2 ASN A  690  SER A  700  1                                  11    
HELIX    3   3 SER A  709  PHE A  722  1                                  14    
HELIX    4   4 LYS A  745  ALA A  754  1                                  10    
HELIX    5   5 ASN A  775  PHE A  786  1                                  12    
SHEET    1   A 2 PRO A 734  THR A 736  0                                        
SHEET    2   A 2 ASN A 742  CYS A 744 -1  O  VAL A 743   N  ILE A 735           
LINK         SG  CYS A 724                ZN    ZN A1001     1555   1555  2.40  
LINK         SG  CYS A 727                ZN    ZN A1001     1555   1555  2.35  
LINK         SG  CYS A 739                ZN    ZN A1002     1555   1555  2.34  
LINK         ND1 HIS A 741                ZN    ZN A1002     1555   1555  2.11  
LINK         SG  CYS A 744                ZN    ZN A1001     1555   1555  2.39  
LINK         SG  CYS A 747                ZN    ZN A1001     1555   1555  2.37  
LINK         SG  CYS A 759                ZN    ZN A1002     1555   1555  2.35  
LINK         SG  CYS A 762                ZN    ZN A1002     1555   1555  2.35  
SITE     1 AC1  4 CYS A 724  CYS A 727  CYS A 744  CYS A 747                    
SITE     1 AC2  4 CYS A 739  HIS A 741  CYS A 759  CYS A 762                    
CRYST1   45.736   46.916   48.409  90.00  90.00  90.00 P 21 21 21    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      0.021865  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.021315  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.020657        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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