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Database: PDB
Entry: 2KVM
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Original site: 2KVM 
HEADER    TRANSCRIPTION                           17-MAR-10   2KVM              
TITLE     SOLUTION STRUCTURE OF THE CBX7 CHROMODOMAIN IN COMPLEX WITH A H3K27ME2
TITLE    2 PEPTIDE                                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: CHROMOBOX PROTEIN HOMOLOG 7;                               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: CHROMODOMAIN;                                              
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: HISTONE H3 PEPTIDE (RESIDUES 15-30) WITH DIMETHYLATED      
COMPND   8 LYSINE 27;                                                           
COMPND   9 CHAIN: B;                                                            
COMPND  10 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;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28A;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 SYNTHETIC: YES                                                       
KEYWDS    HISTONE MODIFICATION, LYSINE METHYLATION, CHROMOBOX, POLYCOMB,        
KEYWDS   2 CHROMATIN-BINDING, CHROMATIN REGULATOR, NUCLEUS, REPRESSOR,          
KEYWDS   3 TRANSCRIPTION, TRANSCRIPTION REGULATION                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    K.L.YAP,L.ZENG,M.ZHOU                                                 
REVDAT   2   05-FEB-20 2KVM    1       REMARK SEQADV LINK                       
REVDAT   1   30-JUN-10 2KVM    0                                                
JRNL        AUTH   K.L.YAP,S.LI,A.M.MUNOZ-CABELLO,S.RAGUZ,L.ZENG,S.MUJTABA,     
JRNL        AUTH 2 J.GIL,M.J.WALSH,M.M.ZHOU                                     
JRNL        TITL   MOLECULAR INTERPLAY OF THE NONCODING RNA ANRIL AND           
JRNL        TITL 2 METHYLATED HISTONE H3 LYSINE 27 BY POLYCOMB CBX7 IN          
JRNL        TITL 3 TRANSCRIPTIONAL SILENCING OF INK4A.                          
JRNL        REF    MOL.CELL                      V.  38   662 2010              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   20541999                                                     
JRNL        DOI    10.1016/J.MOLCEL.2010.03.021                                 
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA 2.0, CNS 1.1                                    
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES (ARIA), BRUNGER,        
REMARK   3                 ADAMS, CLORE, GROS, NILGES AND READ (CNS)            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2KVM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-MAR-10.                  
REMARK 100 THE DEPOSITION ID IS D_1000101628.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298; 298; 298                      
REMARK 210  PH                             : 7.4; 7.4; 7.4                      
REMARK 210  IONIC STRENGTH                 : 140; 140; 140                      
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT; AMBIENT          
REMARK 210  SAMPLE CONTENTS                : 0.5 MM [U-100% 15N] CBX7           
REMARK 210                                   CHROMODOMAIN, 0.75 MM H3K27ME2     
REMARK 210                                   PEPTIDE, 4.3 MM SODIUM PHOSPHATE,  
REMARK 210                                   1.4 MM POTASSIUM PHOSPHATE, 5      
REMARK 210                                   MM DTT, 137 MM SODIUM CHLORIDE,    
REMARK 210                                   3 MM POTASSIUM CHLORIDE, 90% H2O/  
REMARK 210                                   10% D2O; 0.5 MM [U-100% 13C; U-    
REMARK 210                                   100% 15N] CBX7 CHROMODOMAIN,       
REMARK 210                                   0.75 MM H3K27ME2 PEPTIDE, 4.3 MM   
REMARK 210                                   SODIUM PHOSPHATE, 1.4 MM           
REMARK 210                                   POTASSIUM PHOSPHATE, 5 MM DTT,     
REMARK 210                                   137 MM SODIUM CHLORIDE, 3 MM       
REMARK 210                                   POTASSIUM CHLORIDE, 90% H2O/10%    
REMARK 210                                   D2O; 0.5 MM H3K27ME2 PEPTIDE,      
REMARK 210                                   4.3 MM SODIUM PHOSPHATE, 1.4 MM    
REMARK 210                                   POTASSIUM PHOSPHATE, 5 MM DTT,     
REMARK 210                                   137 MM SODIUM CHLORIDE, 3 MM       
REMARK 210                                   POTASSIUM CHLORIDE, 90% H2O/10%    
REMARK 210                                   D2O                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   2D 1H-1H TOCSY; 3D HNCACB; 3D      
REMARK 210                                   HN(COCA)CB; 3D 1H-15N NOESY; 3D    
REMARK 210                                   1H-13C NOESY; 3D HCCH-TOCSY        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ; 800 MHZ; 600 MHZ          
REMARK 210  SPECTROMETER MODEL             : DRX; AVANCE                        
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : ARIA 2.0, TALOS, NMRPIPE,          
REMARK 210                                   NMRVIEW                            
REMARK 210   METHOD USED                   : SIMULATED ANNEALING, TORSION       
REMARK 210                                   ANGLE DYNAMICS                     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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 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. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-20                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     GLY A    -2                                                      
REMARK 465     SER A    -1                                                      
REMARK 465     HIS A     0                                                      
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  1 SER A   4       78.38   -159.42                                   
REMARK 500  1 ALA A   5      -88.91     63.07                                   
REMARK 500  1 ILE A   6      -87.64     48.19                                   
REMARK 500  1 GLN A   9      -67.85   -149.94                                   
REMARK 500  1 VAL A  10      119.80     65.24                                   
REMARK 500  1 PHE A  11     -151.03   -137.35                                   
REMARK 500  1 SER A  15      160.86    166.63                                   
REMARK 500  1 LEU A  29       87.86    -68.75                                   
REMARK 500  1 LYS A  33      -74.64    -52.33                                   
REMARK 500  1 ILE A  48      100.83    -52.97                                   
REMARK 500  1 LEU A  49        2.49    -68.89                                   
REMARK 500  1 ALA A  66       95.99    -51.51                                   
REMARK 500  1 SER A  67      -43.48   -141.21                                   
REMARK 500  1 ARG A  70     -162.57   -163.93                                   
REMARK 500  1 GLN B  19      -92.80     59.09                                   
REMARK 500  1 ALA B  21       -9.65   -157.80                                   
REMARK 500  1 SER B  28     -176.67     60.15                                   
REMARK 500  2 SER A   4      -59.70   -132.46                                   
REMARK 500  2 GLU A   8     -174.02     56.89                                   
REMARK 500  2 GLN A   9      -53.01   -174.76                                   
REMARK 500  2 VAL A  10      133.28     63.29                                   
REMARK 500  2 SER A  15      163.06    166.55                                   
REMARK 500  2 LYS A  33      -70.72    -56.52                                   
REMARK 500  2 PRO A  44      150.81    -47.47                                   
REMARK 500  2 ILE A  48      100.03    -52.77                                   
REMARK 500  2 LEU A  49        1.89    -66.12                                   
REMARK 500  2 ALA A  66      -85.88     53.72                                   
REMARK 500  2 SER A  67      -55.78   -126.20                                   
REMARK 500  2 ARG A  70     -147.35     59.86                                   
REMARK 500  2 GLN B  19      -83.35     61.91                                   
REMARK 500  2 ALA B  25     -162.76   -161.36                                   
REMARK 500  2 SER B  28     -160.20   -124.12                                   
REMARK 500  2 ALA B  29       65.44     61.41                                   
REMARK 500  3 SER A   4      -12.00   -169.70                                   
REMARK 500  3 ILE A   6      -82.14    -79.41                                   
REMARK 500  3 GLU A   8     -161.43   -120.25                                   
REMARK 500  3 GLN A   9      -38.24   -170.23                                   
REMARK 500  3 VAL A  10      140.11     68.23                                   
REMARK 500  3 SER A  15      156.95    160.67                                   
REMARK 500  3 LEU A  29       87.67    -66.40                                   
REMARK 500  3 ILE A  48      100.54    -52.84                                   
REMARK 500  3 LEU A  49        2.28    -68.04                                   
REMARK 500  3 ARG A  65      -78.02    -45.83                                   
REMARK 500  3 ALA A  66      -40.92    174.56                                   
REMARK 500  3 SER A  67      -56.94   -173.54                                   
REMARK 500  3 ARG A  70     -162.58   -105.18                                   
REMARK 500  3 ALA B  21      -87.64     62.92                                   
REMARK 500  3 THR B  22      -94.24     44.66                                   
REMARK 500  4 ILE A   6      -74.90    -45.23                                   
REMARK 500  4 GLU A   8     -179.13     63.74                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     335 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 16778   RELATED DB: BMRB                                 
DBREF  2KVM A    1    71  UNP    Q8VDS3   CBX7_MOUSE       1     71             
DBREF  2KVM B   15    30  PDB    2KVM     2KVM            15     30             
SEQADV 2KVM GLY A   -2  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 2KVM SER A   -1  UNP  Q8VDS3              EXPRESSION TAG                 
SEQADV 2KVM HIS A    0  UNP  Q8VDS3              EXPRESSION TAG                 
SEQRES   1 A   74  GLY SER HIS MET GLU LEU SER ALA ILE GLY GLU GLN VAL          
SEQRES   2 A   74  PHE ALA VAL GLU SER ILE ARG LYS LYS ARG VAL ARG LYS          
SEQRES   3 A   74  GLY LYS VAL GLU TYR LEU VAL LYS TRP LYS GLY TRP PRO          
SEQRES   4 A   74  PRO LYS TYR SER THR TRP GLU PRO GLU GLU HIS ILE LEU          
SEQRES   5 A   74  ASP PRO ARG LEU VAL MET ALA TYR GLU GLU LYS GLU GLU          
SEQRES   6 A   74  ARG ASP ARG ALA SER GLY TYR ARG LYS                          
SEQRES   1 B   16  ALA PRO ARG LYS GLN LEU ALA THR LYS ALA ALA ARG MLY          
SEQRES   2 B   16  SER ALA PRO                                                  
MODRES 2KVM MLY B   27  LYS  N-DIMETHYL-LYSINE                                  
HET    MLY  B  27      28                                                       
HETNAM     MLY N-DIMETHYL-LYSINE                                                
FORMUL   2  MLY    C8 H18 N2 O2                                                 
HELIX    1   1 PRO A   36  SER A   40  5                                   5    
HELIX    2   2 ASP A   50  ALA A   66  1                                  17    
SHEET    1   A 3 VAL A  13  ARG A  22  0                                        
SHEET    2   A 3 LYS A  25  TRP A  32 -1  O  LYS A  25   N  ARG A  22           
SHEET    3   A 3 THR A  41  PRO A  44 -1  O  THR A  41   N  VAL A  30           
LINK         C   ARG B  26                 N   MLY B  27     1555   1555  1.33  
LINK         C   MLY B  27                 N   SER B  28     1555   1555  1.33  
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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