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Database: PDB
Entry: 4X3U
LinkDB: 4X3U
Original site: 4X3U 
HEADER    TRANSCRIPTION                           01-DEC-14   4X3U              
TITLE     CRYSTAL STRUCTURE OF CHROMOBOX HOMOLOG 7 (CBX7) CHROMODOMAIN WITH     
TITLE    2 SURAMIN                                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CHROMOBOX PROTEIN HOMOLOG 7;                               
COMPND   3 CHAIN: A, B;                                                         
COMPND   4 FRAGMENT: UNP RESIDUES 7-66;                                         
COMPND   5 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
SOURCE   4 ORGANISM_TAXID: 10090;                                               
SOURCE   5 GENE: CBX7, D15ERTD417E;                                             
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    CBX7, CHROMODOMAIN, SURAMIN, TRANSCRIPTION                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    C.REN,M.M.ZHOU                                                        
REVDAT   1   04-MAR-15 4X3U    0                                                
JRNL        AUTH   C.REN,K.MOROHASHI,A.N.PLOTNIKOV,J.JAKONCIC,S.G.SMITH,J.LI,   
JRNL        AUTH 2 L.ZENG,Y.RODRIGUEZ,V.STOJANOFF,M.WALSH,M.M.ZHOU              
JRNL        TITL   SMALL-MOLECULE MODULATORS OF METHYL-LYSINE BINDING FOR THE   
JRNL        TITL 2 CBX7 CHROMODOMAIN.                                           
JRNL        REF    CHEM.BIOL.                    V.  22   161 2015              
JRNL        REFN                   ISSN 1074-5521                               
JRNL        PMID   25660273                                                     
JRNL        DOI    10.1016/J.CHEMBIOL.2014.11.021                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.63 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.7.0029                                      
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.63                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 22.68                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.8                           
REMARK   3   NUMBER OF REFLECTIONS             : 18956                          
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) : 0.164                           
REMARK   3   R VALUE            (WORKING SET) : 0.160                           
REMARK   3   FREE R VALUE                     : 0.232                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.100                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1016                            
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) : 1.63                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 1.67                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1344                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 98.00                        
REMARK   3   BIN R VALUE           (WORKING SET) : 0.1480                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 75                           
REMARK   3   BIN FREE R VALUE                    : 0.2260                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 946                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 172                                     
REMARK   3   SOLVENT ATOMS            : 149                                     
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 20.95                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.07000                                              
REMARK   3    B22 (A**2) : 0.07000                                              
REMARK   3    B33 (A**2) : -0.14000                                             
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): 0.109         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.100         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.057         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.580         
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.954                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.920                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  1160 ; 0.028 ; 0.020       
REMARK   3   BOND LENGTHS OTHERS               (A):  1020 ; 0.012 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  1600 ; 3.318 ; 2.151       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  2343 ; 1.732 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   107 ; 7.054 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    47 ;36.594 ;22.340       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   192 ;12.135 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    10 ;14.130 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   140 ; 0.797 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  1225 ; 0.030 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   297 ; 0.033 ; 0.020       
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):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
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):  2180 ; 6.132 ; 3.000       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):    40 ;33.744 ; 5.000       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  2247 ;15.702 ; 5.000       
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  : NULL                                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : 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                                                           
REMARK   4                                                                      
REMARK   4 4X3U COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-DEC-14.                  
REMARK 100 THE DEPOSITION ID IS D_1000205021.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 25-APR-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : NULL                               
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : NSLS                               
REMARK 200  BEAMLINE                       : X6A                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1                                  
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 270                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20256                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.630                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 22.680                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.8                               
REMARK 200  DATA REDUNDANCY                : 18.70                              
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 48.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         
REMARK 200 SOFTWARE USED: BALBES                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 50.89                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.50                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M LITHIUM SULFATE, 0.1 M BIS-TRIS    
REMARK 280  PH5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE     
REMARK 280  290K                                                                
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2                        
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -Y+1/2,X+1/2,Z+3/4                                      
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4                                      
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4                                     
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4                                     
REMARK 290       7555   Y,X,-Z                                                  
REMARK 290       8555   -Y,-X,-Z+1/2                                            
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       44.95450            
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       29.35000            
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       29.35000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       67.43175            
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       29.35000            
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       29.35000            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       22.47725            
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       29.35000            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       29.35000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       67.43175            
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       29.35000            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       29.35000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       22.47725            
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       44.95450            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC                           
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC                    
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 2490 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 7890 ANGSTROM**2                        
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -33.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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     GLY A     3                                                      
REMARK 465     SER A     4                                                      
REMARK 465     HIS A     5                                                      
REMARK 465     MET A     6                                                      
REMARK 465     GLY A     7                                                      
REMARK 465     GLU A     8                                                      
REMARK 465     GLN A     9                                                      
REMARK 465     VAL A    10                                                      
REMARK 465     GLY B     3                                                      
REMARK 465     SER B     4                                                      
REMARK 465     HIS B     5                                                      
REMARK 465     MET B     6                                                      
REMARK 465     GLY B     7                                                      
REMARK 465     GLU B     8                                                      
REMARK 465     GLN B     9                                                      
REMARK 465     ARG B    63                                                      
REMARK 465     ASP B    64                                                      
REMARK 465     ARG B    65                                                      
REMARK 465     ALA B    66                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   O    HOH A   178     O    HOH B   245              2.02            
REMARK 500   O    HOH A   167     O    HOH B   244              2.05            
REMARK 500   NZ   LYS A    19     O    HOH A   101              2.10            
REMARK 500   OE1  GLU B    46     O    HOH B   201              2.11            
REMARK 500   O    HOH B   256     O    HOH B   267              2.11            
REMARK 500   O    HOH B   260     O    HOH B   264              2.11            
REMARK 500   O    HOH B   215     O    HOH B   234              2.16            
REMARK 500   O    HOH A   156     O    HOH A   159              2.16            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    GLU A  46   CD    GLU A  46   OE1     0.092                       
REMARK 500    GLU A  62   CD    GLU A  62   OE1     0.069                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    GLU A  62   OE1 -  CD  -  OE2 ANGL. DEV. =  -7.3 DEGREES          
REMARK 500    LYS B  31   CD  -  CE  -  NZ  ANGL. DEV. =  18.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 155        DISTANCE =  5.90 ANGSTROMS                       
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SVR B 101                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue SVR B 102                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4X3S   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4X3T   RELATED DB: PDB                                   
DBREF  4X3U A    7    66  UNP    Q8VDS3   CBX7_MOUSE       7     66             
DBREF  4X3U B    7    66  UNP    Q8VDS3   CBX7_MOUSE       7     66             
SEQADV 4X3U GLY A    3  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 4X3U SER A    4  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 4X3U HIS A    5  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 4X3U MET A    6  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 4X3U GLY B    3  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 4X3U SER B    4  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 4X3U HIS B    5  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 4X3U MET B    6  UNP  Q8VDS3              EXPRESSION TAG                 
SEQRES   1 A   64  GLY SER HIS MET GLY GLU GLN VAL PHE ALA VAL GLU SER          
SEQRES   2 A   64  ILE ARG LYS LYS ARG VAL ARG LYS GLY LYS VAL GLU TYR          
SEQRES   3 A   64  LEU VAL LYS TRP LYS GLY TRP PRO PRO LYS TYR SER THR          
SEQRES   4 A   64  TRP GLU PRO GLU GLU HIS ILE LEU ASP PRO ARG LEU VAL          
SEQRES   5 A   64  MET ALA TYR GLU GLU LYS GLU GLU ARG ASP ARG ALA              
SEQRES   1 B   64  GLY SER HIS MET GLY GLU GLN VAL PHE ALA VAL GLU SER          
SEQRES   2 B   64  ILE ARG LYS LYS ARG VAL ARG LYS GLY LYS VAL GLU TYR          
SEQRES   3 B   64  LEU VAL LYS TRP LYS GLY TRP PRO PRO LYS TYR SER THR          
SEQRES   4 B   64  TRP GLU PRO GLU GLU HIS ILE LEU ASP PRO ARG LEU VAL          
SEQRES   5 B   64  MET ALA TYR GLU GLU LYS GLU GLU ARG ASP ARG ALA              
HET    SVR  B 101      86                                                       
HET    SVR  B 102      86                                                       
HETNAM     SVR 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-            
HETNAM   2 SVR  METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-                  
HETNAM   3 SVR  NAPHTHALENETRISULFONIC ACID                                     
HETSYN     SVR SURAMIN                                                          
FORMUL   3  SVR    2(C51 H40 N6 O23 S6)                                         
FORMUL   5  HOH   *149(H2 O)                                                    
HELIX    1 AA1 PRO A   36  SER A   40  5                                   5    
HELIX    2 AA2 PRO A   44  ILE A   48  5                                   5    
HELIX    3 AA3 PRO A   51  ARG A   63  1                                  13    
HELIX    4 AA4 PRO B   36  SER B   40  5                                   5    
HELIX    5 AA5 GLU B   46  ILE B   48  5                                   3    
HELIX    6 AA6 ASP B   50  GLU B   62  1                                  13    
SHEET    1 AA1 3 VAL A  13  ARG A  22  0                                        
SHEET    2 AA1 3 LYS A  25  TRP A  32 -1  O  LEU A  29   N  ARG A  17           
SHEET    3 AA1 3 THR A  41  GLU A  43 -1  O  THR A  41   N  VAL A  30           
SHEET    1 AA2 3 VAL B  13  ARG B  22  0                                        
SHEET    2 AA2 3 LYS B  25  TRP B  32 -1  O  LEU B  29   N  ARG B  17           
SHEET    3 AA2 3 THR B  41  PRO B  44 -1  O  THR B  41   N  VAL B  30           
SITE     1 AC1 37 ARG A  20  TRP A  32  TRP A  35  PRO A  36                    
SITE     2 AC1 37 PRO A  37  LYS A  38  TYR A  39  SER A  40                    
SITE     3 AC1 37 THR A  41  TRP A  42  GLU A  46  HIS A  47                    
SITE     4 AC1 37 HOH A 131  HOH A 156  ARG B  20  ARG B  22                    
SITE     5 AC1 37 TRP B  32  TRP B  35  LYS B  38  TYR B  39                    
SITE     6 AC1 37 SER B  40  THR B  41  TRP B  42  GLU B  46                    
SITE     7 AC1 37 HIS B  47  HOH B 205  HOH B 211  HOH B 213                    
SITE     8 AC1 37 HOH B 214  HOH B 215  HOH B 216  HOH B 217                    
SITE     9 AC1 37 HOH B 218  HOH B 223  HOH B 225  HOH B 237                    
SITE    10 AC1 37 HOH B 245                                                     
SITE     1 AC2 15 LYS A  23  GLY A  24  GLU A  61  GLU A  62                    
SITE     2 AC2 15 ARG A  63  ASP A  64  ARG A  65  ALA A  66                    
SITE     3 AC2 15 ARG B  20  VAL B  21  HOH B 202  HOH B 204                    
SITE     4 AC2 15 HOH B 210  HOH B 221  HOH B 250                               
CRYST1   58.700   58.700   89.909  90.00  90.00  90.00 P 43 21 2    16          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.017036  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.017036  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.011122        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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