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Database: PDB
Entry: 2A7O
LinkDB: 2A7O
Original site: 2A7O 
HEADER    TRANSCRIPTION                           05-JUL-05   2A7O              
TITLE     SOLUTION STRUCTURE OF THE HSET2/HYPB SRI DOMAIN                       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HUNTINGTIN INTERACTING PROTEIN B;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: SET2 RPB1-INTERACTING (SRI) DOMAIN, HSET2/HYBP             
COMPND   5 SRI DOMAIN, RESIDUES 1954-2061;                                      
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 OTHER_DETAILS: ISOFORM 1                                             
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: HSET2/HYPB;                                                    
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)STAR;                             
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET-15B                                   
KEYWDS    SRI DOMAIN, SRI, HSRI, SET2, HSET2, PHOSPHOCTD ASSOCIATING            
KEYWDS   2 PROTEIN, SET2 RPB1-INTERACTING DOMAIN, PCID, PCAP,                   
KEYWDS   3 TRANSCRIPTION                                                        
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    M.LI,H.P.PHATNANI,Z.GUAN,H.SAGE,A.GREENLEAF,P.ZHOU                    
REVDAT   3   24-FEB-09 2A7O    1       VERSN                                    
REVDAT   2   27-DEC-05 2A7O    1       JRNL                                     
REVDAT   1   01-NOV-05 2A7O    0                                                
JRNL        AUTH   M.LI,H.P.PHATNANI,Z.GUAN,H.SAGE,A.GREENLEAF,P.ZHOU           
JRNL        TITL   SOLUTION STRUCTURE OF THE SET2 RPB1 INTERACTING              
JRNL        TITL 2 DOMAIN OF HUMAN SET2 AND ITS INTERACTION WITH THE            
JRNL        TITL 3 HYPERPHOSPHORYLATED C-TERMINAL DOMAIN OF RPB1                
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 102 17636 2005              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   16314571                                                     
JRNL        DOI    10.1073/PNAS.0506350102                                      
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XPLOR-NIH 2.9.7                                      
REMARK   3   AUTHORS     : C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.M.CLORE     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: STRUCTURES WERE INITIALLY CALCULATED      
REMARK   3  USING DYANA. CYANA 2.0 WAS USED FOR AUTOMATED DATA ANALYSIS TO      
REMARK   3  OBTAIN ADDITIONAL NOE CONSTRAINTS. THE STRUCTURES WERE THEN         
REMARK   3  REFINED AGAINST RESIDUAL DIPOLAR COUPLINGS USING XPLOR-NIH AND      
REMARK   3  A WATER-REFINEMENT PROTOCOL.                                        
REMARK   4                                                                      
REMARK   4 2A7O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-JUL-05.                  
REMARK 100 THE RCSB ID CODE IS RCSB033590.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 300                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 100 MM KCL                         
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : U-15N (RANDOM LABELING) HYPB,      
REMARK 210                                   90% H2O, 10% D2O; U-95% 13C, U     
REMARK 210                                   -98% 15N LABELED HYPB, 90%         
REMARK 210                                   H2O, 10% D2O; RESIDUE              
REMARK 210                                   SELECTIVE LABELING WITH 15N-       
REMARK 210                                   LYSINE HYPB, 90% H2O, 10% D2O;     
REMARK 210                                   U-95% 13C, U-98% 15N HYPB,         
REMARK 210                                   100% D2O; UNLABELED HYPB,100%      
REMARK 210                                   D2O; 10% 13C (FRACTIONAL           
REMARK 210                                   LABELING) HYPB,100% D2O            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 3D_        
REMARK 210                                   13C-SEPARATED_NOESY, 2D NOESY,     
REMARK 210                                   2D TOCSY, HNCA, HN(CO)CA,          
REMARK 210                                   HN(CA)CB, HN(COCA)CB, HNCO,        
REMARK 210                                   HNCA-J, 4D HC(CCO)NH-TOCSY,        
REMARK 210                                   15N-HSQC, HIGH-RESOLUTION 13C-     
REMARK 210                                   HSQC, RDC EXPERIMENT IN PHAGE      
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ, 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, XEASY 1.2, DYANA          
REMARK 210                                   1.5, CYANA 2.0                     
REMARK 210   METHOD USED                   : SIMULATED ANNEALING,               
REMARK 210                                   MOLECULAR DYNAMICS, TORSION        
REMARK 210                                   ANGLE DYNAMICS                     
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 25                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH FAVORABLE NON      
REMARK 210                                   -BOND 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 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     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     HIS A     3                                                      
REMARK 465     MET A     4                                                      
REMARK 465     THR A     5                                                      
REMARK 465     ALA A     6                                                      
REMARK 465     GLU A     7                                                      
REMARK 465     ALA A     8                                                      
REMARK 465     ASP A     9                                                      
REMARK 465     GLU A   110                                                      
REMARK 465     LEU A   111                                                      
REMARK 465     GLU A   112                                                      
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 LYS A  73      -30.77     71.67                                   
REMARK 500  2 LYS A  73      -43.23     70.29                                   
REMARK 500  2 ASP A 108     -168.90    -79.64                                   
REMARK 500  3 CYS A  72      -50.49   -133.78                                   
REMARK 500  3 LYS A  73      -35.57     73.49                                   
REMARK 500  4 LYS A  73      -50.93     68.70                                   
REMARK 500  5 LYS A  73      -34.97     74.05                                   
REMARK 500  6 LYS A  73      -34.93     71.56                                   
REMARK 500  7 LYS A  73      -34.68     72.64                                   
REMARK 500  8 LYS A  73      -49.99     73.46                                   
REMARK 500  9 ASN A  81     -169.90   -100.82                                   
REMARK 500 10 PRO A  75       11.19    -68.86                                   
REMARK 500 12 LYS A  73      -43.63     73.40                                   
REMARK 500 14 LYS A  73       -0.41     69.05                                   
REMARK 500 14 ASP A 108     -174.84    -66.65                                   
REMARK 500 15 LYS A  73      -47.45     70.16                                   
REMARK 500 16 LYS A  73      -50.86     71.82                                   
REMARK 500 17 LYS A  73      -37.40     68.14                                   
REMARK 500 18 LYS A  73      -51.41     71.40                                   
REMARK 500 19 LYS A  73      -44.43     72.60                                   
REMARK 500 20 LYS A  73      -41.55     73.13                                   
REMARK 500 20 ASP A 108     -169.56    -76.89                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 6834   RELATED DB: BMRB                                  
DBREF  2A7O A    5   112  UNP    Q9BYW2   Q9BYW2_HUMAN  1954   2061             
SEQADV 2A7O GLY A    1  UNP  Q9BYW2              CLONING ARTIFACT               
SEQADV 2A7O SER A    2  UNP  Q9BYW2              CLONING ARTIFACT               
SEQADV 2A7O HIS A    3  UNP  Q9BYW2              CLONING ARTIFACT               
SEQADV 2A7O MET A    4  UNP  Q9BYW2              CLONING ARTIFACT               
SEQRES   1 A  112  GLY SER HIS MET THR ALA GLU ALA ASP THR SER SER GLU          
SEQRES   2 A  112  LEU ALA LYS LYS SER LYS GLU VAL PHE ARG LYS GLU MET          
SEQRES   3 A  112  SER GLN PHE ILE VAL GLN CYS LEU ASN PRO TYR ARG LYS          
SEQRES   4 A  112  PRO ASP CYS LYS VAL GLY ARG ILE THR THR THR GLU ASP          
SEQRES   5 A  112  PHE LYS HIS LEU ALA ARG LYS LEU THR HIS GLY VAL MET          
SEQRES   6 A  112  ASN LYS GLU LEU LYS TYR CYS LYS ASN PRO GLU ASP LEU          
SEQRES   7 A  112  GLU CYS ASN GLU ASN VAL LYS HIS LYS THR LYS GLU TYR          
SEQRES   8 A  112  ILE LYS LYS TYR MET GLN LYS PHE GLY ALA VAL TYR LYS          
SEQRES   9 A  112  PRO LYS GLU ASP THR GLU LEU GLU                              
HELIX    1   1 THR A   10  ASN A   35  1                                  26    
HELIX    2   2 THR A   49  LYS A   73  1                                  25    
HELIX    3   3 ASN A   74  LEU A   78  5                                   5    
HELIX    4   4 ASN A   81  GLN A   97  1                                  17    
HELIX    5   5 LYS A  104  ASP A  108  5                                   5    
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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