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Database: PDB
Entry: 2C5Z
LinkDB: 2C5Z
Original site: 2C5Z 
HEADER    TRANSCRIPTION                           03-NOV-05   2C5Z              
TITLE     STRUCTURE AND CTD BINDING OF THE SET2 SRI DOMAIN                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SET DOMAIN PROTEIN 2;                                      
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SET2 RPB1 INTERACTING DOMAIN, RESIDUES 620-719;            
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 OTHER_DETAILS: RESIDUES 1-4 IN THE CONSTRUCT USED FOR THE            
COMPND   7  STRUCTURE DETERMINATION ARE FROM THE EXPRESSION VECTOR.             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
SOURCE   4 ORGANISM_TAXID: 4932;                                                
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET 9D                                    
KEYWDS    SRI DOMAIN, RNA POLYMERASE II, TRANSCRIPTION, CTD, SET2               
KEYWDS   2 HISTONE METHYLTRANSFERASE                                            
EXPDTA    SOLUTION NMR                                                          
NUMMDL    10                                                                    
AUTHOR    E.VOJNIC,B.SIMON,B.D.STRAHL,M.SATTLER,P.CRAMER                        
REVDAT   3   24-FEB-09 2C5Z    1       VERSN                                    
REVDAT   2   18-JAN-06 2C5Z    1       JRNL                                     
REVDAT   1   14-NOV-05 2C5Z    0                                                
JRNL        AUTH   E.VOJNIC,B.SIMON,B.D.STRAHL,M.SATTLER,P.CRAMER               
JRNL        TITL   STRUCTURE AND CARBOXYL-TERMINAL DOMAIN (CTD)                 
JRNL        TITL 2 BINDING OF THE SET2 SRI DOMAIN THAT COUPLES                  
JRNL        TITL 3 HISTONE H3 LYS36 METHYLATION TO TRANSCRIPTION.               
JRNL        REF    J.BIOL.CHEM.                  V. 281    13 2006              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   16286474                                                     
JRNL        DOI    10.1074/JBC.C500423200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.1, ARIA 1.2                                    
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-             
REMARK   3                 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,        
REMARK   3                 RICE,SIMONSON,WARREN                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE NMR ENSEMBLE HAS BEEN REFINED IN      
REMARK   3  A SHELL OF WATER MOLECULES. REFINEMENT DETAILS CAN BE FOUND IN      
REMARK   3  THE JRNL CITATION ABOVE AND LINGE ET AL.                            
REMARK   4                                                                      
REMARK   4 2C5Z COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON  03-NOV-05.                 
REMARK 100 THE PDBE ID CODE IS EBI-26244.                                       
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 292.0                              
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20 MM SODIUM PHOSHATE, 200         
REMARK 210                                   MM SODIUM CHLORIDE                 
REMARK 210  PRESSURE                       : 1.0                                
REMARK 210  SAMPLE CONTENTS                : 0.4-1MM 15N OR 15N/13C             
REMARK 210                                   LABELLED PROTEIN,                  
REMARK 210                                   90% WATER/ 10% D2O OR 100          
REMARK 210                                   % D2O                              
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : NOESY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500                                
REMARK 210  SPECTROMETER MODEL             : OTHER                              
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRVIEW                            
REMARK 210   METHOD USED                   : ARIA                               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : LOWEST ENERGY                      
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
REMARK 210                                                                      
REMARK 210 REMARK: 3D_15N-SEPARATED_NOESY, 3D_13C-SEPARATED_NOESY,              
REMARK 210  3D_13C EDITED NOESY,  3D_15N EDITED NOESY, HNHA, 2 D NOESY          
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 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   616                                                      
REMARK 465     ALA A   617                                                      
REMARK 465     MET A   618                                                      
REMARK 465     GLY A   619                                                      
REMARK 465     LYS A   620                                                      
REMARK 465     THR A   621                                                      
REMARK 465     LEU A   715                                                      
REMARK 465     GLY A   716                                                      
REMARK 465     LEU A   717                                                      
REMARK 465     SER A   718                                                      
REMARK 465     SER A   719                                                      
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   HA   PHE A   639  - HD22  ASN A   642              1.58            
REMARK 500  HD13  ILE A   644  - HD12  ILE A   698              1.59            
REMARK 500   HA   LYS A   646  -  HG   SER A   650              1.55            
REMARK 500   HB2  ASP A   664  -  HH   TYR A   701              1.44            
REMARK 500   HA   GLU A   673  -  HD3  LYS A   676              1.58            
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  6 PHE A 636   CE1   PHE A 636   CZ     -0.123                       
REMARK 500  6 PHE A 636   CE2   PHE A 636   CZ      0.134                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500 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 LYS A 646       74.00   -152.63                                   
REMARK 500  1 LEU A 686       97.64    -64.22                                   
REMARK 500  2 SER A 623       42.36    -84.44                                   
REMARK 500  2 LYS A 646       80.00   -165.06                                   
REMARK 500  3 LYS A 646       72.31   -170.30                                   
REMARK 500  4 SER A 623       18.65     59.44                                   
REMARK 500  4 LYS A 646       84.06   -165.68                                   
REMARK 500  4 LEU A 686       95.23    -69.37                                   
REMARK 500  5 LYS A 646       73.20   -175.52                                   
REMARK 500  5 PRO A 648      -19.83    -47.40                                   
REMARK 500  6 LYS A 646       85.42   -164.47                                   
REMARK 500  7 LYS A 646       65.45   -179.16                                   
REMARK 500  7 ASP A 684      -73.89    -49.69                                   
REMARK 500  7 LEU A 686       97.13    -62.82                                   
REMARK 500  8 LYS A 646       80.24   -167.14                                   
REMARK 500  9 LYS A 646       81.96   -173.28                                   
REMARK 500 10 LYS A 646       70.94   -172.19                                   
REMARK 500 10 ASP A 684      -71.98    -58.21                                   
REMARK 500 10 LEU A 686       95.49    -63.95                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  4 PHE A 653         0.06    SIDE CHAIN                              
REMARK 500  7 PHE A 639         0.07    SIDE CHAIN                              
REMARK 500 10 PHE A 653         0.07    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1E0N   RELATED DB: PDB                                   
REMARK 900  YJQ8WW DOMAIN FROM SACCHAROMYCES CEREVISAE                          
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 RESIDUES 1-4 IN THE CONSTRUCT USED FOR THE STRUCTURE                 
REMARK 999 DETERMINATION ARE FROM THE EXPRESSION VECTOR.                        
DBREF  2C5Z A  616   619  PDB    2C5Z     2C5Z           616    619             
DBREF  2C5Z A  620   719  UNP    P46995   SET2_YEAST     620    719             
SEQRES   1 A  104  GLY ALA MET GLY LYS THR VAL SER GLN SER GLN ARG LEU          
SEQRES   2 A  104  GLU HIS ASN TRP ASN LYS PHE PHE ALA SER PHE VAL PRO          
SEQRES   3 A  104  ASN LEU ILE LYS LYS ASN PRO GLN SER LYS GLN PHE ASP          
SEQRES   4 A  104  HIS GLU ASN ILE LYS GLN CYS ALA LYS ASP ILE VAL LYS          
SEQRES   5 A  104  ILE LEU THR THR LYS GLU LEU LYS LYS ASP SER SER ARG          
SEQRES   6 A  104  ALA PRO PRO ASP ASP LEU THR LYS GLY LYS ARG HIS LYS          
SEQRES   7 A  104  VAL LYS GLU PHE ILE ASN SER TYR MET ASP LYS ILE ILE          
SEQRES   8 A  104  LEU LYS LYS LYS GLN LYS LYS ALA LEU GLY LEU SER SER          
HELIX    1   1 SER A  623  LYS A  646  1                                  24    
HELIX    2   2 ASP A  654  ASP A  677  1                                  24    
HELIX    3   3 THR A  687  LYS A  713  1                                  27    
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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