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Database: PDB
Entry: 2ND0
LinkDB: 2ND0
Original site: 2ND0 
HEADER    TRANSCRIPTION/VIRAL PROTEIN             18-APR-16   2ND0              
TITLE     SOLUTION NMR STRUCTURES OF BRD4 ET DOMAIN WITH LANA PEPTIDE           
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: BROMODOMAIN-CONTAINING PROTEIN 4;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 601-683;                                          
COMPND   5 SYNONYM: PROTEIN HUNK1;                                              
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: LANA;                                                      
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: RESIDUES 1086-1104;                                        
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: BRD4, HUNK1;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET32A;                                    
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 SYNTHETIC: YES;                                                      
SOURCE  11 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 8;                            
SOURCE  12 ORGANISM_COMMON: HHV-8;                                              
SOURCE  13 ORGANISM_TAXID: 37296                                                
KEYWDS    TRANSCRIPTION, VIRAL PROTEIN, TRANSCRIPTION-VIRAL PROTEIN COMPLEX     
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    L.ZENG,M.ZHOU                                                         
REVDAT   2   20-JUL-16 2ND0    1       JRNL                                     
REVDAT   1   29-JUN-16 2ND0    0                                                
JRNL        AUTH   Q.ZHANG,L.ZENG,C.SHEN,Y.JU,T.KONUMA,C.ZHAO,C.R.VAKOC,        
JRNL        AUTH 2 M.M.ZHOU                                                     
JRNL        TITL   STRUCTURAL MECHANISM OF TRANSCRIPTIONAL REGULATOR NSD3       
JRNL        TITL 2 RECOGNITION BY THE ET DOMAIN OF BRD4.                        
JRNL        REF    STRUCTURE                     V.  24  1201 2016              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   27291650                                                     
JRNL        DOI    10.1016/J.STR.2016.04.019                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA 2.3, TALOS, CNS 1.2                             
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES (ARIA), CORNILESCU,     
REMARK   3                 DELAGLIO AND BAX (TALOS), BRUNGER, ADAMS, CLORE,     
REMARK   3                 GROS, NILGES AND READ (CNS)                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2ND0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-APR-16.                  
REMARK 100 THE RCSB ID CODE IS RCSB104710.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 10 MM SODIUM PHOSPHATE, 100 MM     
REMARK 210                                   SODIUM CHLORIDE, 2 MM [U-100% 2H]  
REMARK 210                                   DTT, 100% D2O; 10 MM SODIUM        
REMARK 210                                   PHOSPHATE, 100 MM SODIUM           
REMARK 210                                   CHLORIDE, 2 MM [U-100% 2H] DTT,    
REMARK 210                                   90% H2O/10% D2O                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D HNCACB; 3D      
REMARK 210                                   CBCA(CO)NH; 3D 1H-15N NOESY; 3D    
REMARK 210                                   1H-15N TOCSY; 3D 1H-13C NOESY      
REMARK 210                                   ALIPHATIC; 3D 1H-13C NOESY         
REMARK 210                                   AROMATIC; 2D 1H-13C HSQC; 3D       
REMARK 210                                   FILTERED 1H-13C NOESY ALIPHATIC;   
REMARK 210                                   3D FILTERED 1H-13C NOESY AROMATIC  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 900 MHZ; 600 MHZ; 500     
REMARK 210                                   MHZ                                
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, NMRVIEW 5.04, CNS 1.2,    
REMARK 210                                   TOPSPIN, PROCHECKNMR               
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS, DISTANCE   
REMARK 210                                   GEOMETRY                           
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST 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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
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   OE2  GLU A    53     HZ1  LYS B   206              1.60            
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                                                                      
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 ASN A  46       36.92    -89.46                                   
REMARK 500  1 GLN B 201       99.45    -64.15                                   
REMARK 500  1 LEU B 211       95.56     66.67                                   
REMARK 500  3 LYS A  78     -144.30   -141.23                                   
REMARK 500  3 ARG A  79      -51.73   -150.71                                   
REMARK 500  3 LYS A  80      122.91    178.33                                   
REMARK 500  3 LEU B 200      -48.11   -132.18                                   
REMARK 500  3 LEU B 211       70.16     48.59                                   
REMARK 500  4 CYS A   7       98.29     62.34                                   
REMARK 500  4 ASN A  46       41.86    -98.71                                   
REMARK 500  4 LYS A  78       75.38   -151.53                                   
REMARK 500  4 LYS A  80       74.89     58.15                                   
REMARK 500  4 LEU B 211       65.37     60.70                                   
REMARK 500  5 LYS A  80       82.41     65.07                                   
REMARK 500  5 LEU B 211       87.32   -154.89                                   
REMARK 500  5 GLN B 215      -52.08   -169.77                                   
REMARK 500  6 CYS A   7      102.23     63.86                                   
REMARK 500  6 LEU A  44       41.95    -95.59                                   
REMARK 500  6 ASN A  46       35.10    -96.52                                   
REMARK 500  6 LYS A  80       71.71     59.53                                   
REMARK 500  6 PRO A  81       41.45    -75.39                                   
REMARK 500  6 LYS B 206       77.95   -105.63                                   
REMARK 500  6 PRO B 216       45.28    -89.15                                   
REMARK 500  7 SER A  47       97.84    -67.48                                   
REMARK 500  7 PRO A  81     -152.44    -75.71                                   
REMARK 500  7 SER B 203      -55.09   -173.37                                   
REMARK 500  7 ILE B 204       77.51     51.92                                   
REMARK 500  8 CYS A   7      100.29     64.55                                   
REMARK 500  8 LYS A  77      -50.34   -120.65                                   
REMARK 500  8 PRO A  81       49.29    -79.46                                   
REMARK 500  8 GLN B 201      100.45   -160.34                                   
REMARK 500  8 SER B 202      -63.33   -138.87                                   
REMARK 500  8 SER B 203      132.02   -172.76                                   
REMARK 500  8 PRO B 212       45.37    -78.06                                   
REMARK 500  9 SER B 203       91.95   -177.48                                   
REMARK 500  9 GLN B 215       66.32     61.75                                   
REMARK 500 10 SER A  47       99.37    -69.78                                   
REMARK 500 10 GLN A  82       49.43    -85.48                                   
REMARK 500 10 SER B 202      -70.77    -65.37                                   
REMARK 500 10 SER B 203       72.84   -150.96                                   
REMARK 500 11 ASN A  46       41.51    -95.61                                   
REMARK 500 11 LYS A  78      106.02   -161.79                                   
REMARK 500 11 SER B 203       63.01   -166.22                                   
REMARK 500 11 GLN B 215       79.48     61.21                                   
REMARK 500 12 PRO A  81       66.68    -67.16                                   
REMARK 500 12 LEU B 200      -49.36   -160.98                                   
REMARK 500 12 GLN B 201       50.41   -143.11                                   
REMARK 500 12 PRO B 216       34.86    -78.39                                   
REMARK 500 13 CYS A   7       99.58     66.24                                   
REMARK 500 13 GLU A  41       78.98   -116.90                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      77 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 26042   RELATED DB: BMRB                                 
DBREF  2ND0 A    1    83  UNP    O60885   BRD4_HUMAN     601    683             
DBREF  2ND0 B  199   217  UNP    E5LC01   E5LC01_HHV8   1086   1104             
SEQRES   1 A   83  SER GLU GLU GLU ASP LYS CYS LYS PRO MET SER TYR GLU          
SEQRES   2 A   83  GLU LYS ARG GLN LEU SER LEU ASP ILE ASN LYS LEU PRO          
SEQRES   3 A   83  GLY GLU LYS LEU GLY ARG VAL VAL HIS ILE ILE GLN SER          
SEQRES   4 A   83  ARG GLU PRO SER LEU LYS ASN SER ASN PRO ASP GLU ILE          
SEQRES   5 A   83  GLU ILE ASP PHE GLU THR LEU LYS PRO SER THR LEU ARG          
SEQRES   6 A   83  GLU LEU GLU ARG TYR VAL THR SER CYS LEU ARG LYS LYS          
SEQRES   7 A   83  ARG LYS PRO GLN ALA                                          
SEQRES   1 B   19  ASN LEU GLN SER SER ILE VAL LYS PHE LYS LYS PRO LEU          
SEQRES   2 B   19  PRO LEU THR GLN PRO GLY                                      
HELIX    1   1 GLU A    2  CYS A    7  1                                   6    
HELIX    2   2 SER A   11  LEU A   25  1                                  15    
HELIX    3   3 PRO A   26  GLU A   41  1                                  16    
HELIX    4   4 PRO A   42  LYS A   45  5                                   4    
HELIX    5   5 LYS A   60  ARG A   76  1                                  17    
SHEET    1   A 2 ILE A  52  ILE A  54  0                                        
SHEET    2   A 2 VAL B 205  PHE B 207 -1  O  VAL B 205   N  ILE A  54           
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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