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Database: PDB
Entry: 2L5G
LinkDB: 2L5G
Original site: 2L5G 
HEADER    TRANSCRIPTION REGULATOR                 01-NOV-10   2L5G              
TITLE     CO-ORDINATES AND 1H, 13C AND 15N CHEMICAL SHIFT ASSIGNMENTS FOR THE   
TITLE    2 COMPLEX OF GPS2 53-90 AND SMRT 167-207                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: G PROTEIN PATHWAY SUPPRESSOR 2;                            
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 53-90;                                        
COMPND   5 SYNONYM: GPS2 PROTEIN;                                               
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN NCOR2;                    
COMPND   9 CHAIN: B;                                                            
COMPND  10 FRAGMENT: UNP RESIDUES 167-207;                                      
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: GPS2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET13A;                                   
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
SOURCE  13 ORGANISM_TAXID: 9606;                                                
SOURCE  14 GENE: NCOR2;                                                         
SOURCE  15 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  16 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  17 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE  18 EXPRESSION_SYSTEM_PLASMID: PET41                                     
KEYWDS    GPS2, SMRT, TBL1, CO-REPRESSOR, TRANSCRIPTION REGULATOR               
EXPDTA    SOLUTION NMR                                                          
NUMMDL    35                                                                    
AUTHOR    J.OBEROI,J.YANG,D.NEUHAUS,J.W.R.SCHWABE                               
REVDAT   2   16-FEB-11 2L5G    1       JRNL                                     
REVDAT   1   02-FEB-11 2L5G    0                                                
JRNL        AUTH   J.OBEROI,L.FAIRALL,P.J.WATSON,J.C.YANG,Z.CZIMMERER,          
JRNL        AUTH 2 T.KAMPMANN,B.T.GOULT,J.A.GREENWOOD,J.T.GOOCH,                
JRNL        AUTH 3 B.C.KALLENBERGER,L.NAGY,D.NEUHAUS,J.W.SCHWABE                
JRNL        TITL   STRUCTURAL BASIS FOR THE ASSEMBLY OF THE SMRT/NCOR CORE      
JRNL        TITL 2 TRANSCRIPTIONAL REPRESSION MACHINERY.                        
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  18   177 2011              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   21240272                                                     
JRNL        DOI    10.1038/NSMB.1983                                            
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH 2.19                                      
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: XPLOR-NIH                                 
REMARK   4                                                                      
REMARK   4 2L5G COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-NOV-10.                  
REMARK 100 THE RCSB ID CODE IS RCSB101980.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 285                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.4 MM [U-98% 13C; U-98% 15N]      
REMARK 210                                   GPS2_53-90, 0.4 MM [U-98% 13C; U-  
REMARK 210                                   98% 15N] SMRT_167-207, 90% H2O/    
REMARK 210                                   10% D2O; 0.4 MM [U-98% 13C; U-98%  
REMARK 210                                   15N] SMRT_167-207, 0.4 MM GPS2_    
REMARK 210                                   53-90, 90% H2O/10% D2O; 0.4 MM [U  
REMARK 210                                   -98% 13C; U-98% 15N] GPS2_53-90,   
REMARK 210                                   0.4 MM SMRT_167-207, 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-13C HSQC CT ALIPHATIC; 2D    
REMARK 210                                   1H-13C HSQC CT AROMATIC; 2D 1H-1H  
REMARK 210                                   NOESY; 2D 1H-1H NOESY (FILTERED    
REMARK 210                                   TO REMOVE 15N-COUPLED SIGNALS IN   
REMARK 210                                   F1 AND F2); 3D HNCACB; 3D          
REMARK 210                                   CBCA(CO)NH; 3D HBHA(CO)NH; 3D      
REMARK 210                                   HCCH-COSY; 3D CCH-TOCSY; 3D C(CO)  
REMARK 210                                   NH; 3D 1H-15N NOESY; 3D 1H-13C     
REMARK 210                                   NOESY ALIPHATIC; 3D 1H-13C NOESY   
REMARK 210                                   AROMATIC; 2D 1H-13C HSQC           
REMARK 210                                   ALIPHATIC; 2D 1H-1H NOESY          
REMARK 210                                   FILTERED TO RETAIN ONLY            
REMARK 210                                   INTERCHAIN CROSS-PEAKS; 3D HNHAHB  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ; 600 MHZ; 500 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE; DMX; DRX                   
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR_NIH 2.19, XWINNMR 3.6,      
REMARK 210                                   ANALYSIS 1.0.15                    
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 35                                 
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   O    GLN B   197     H    GLU B   201              1.70            
REMARK 500   O    GLN B   198     H    GLU B   202              1.75            
REMARK 500   O    LEU A    86     H    LEU A    90              1.80            
REMARK 500   O    LEU A    72     H    LEU A    76              1.87            
REMARK 500   O    LYS A    66     H    LEU A    70              2.04            
REMARK 500   O    ILE B   190     H    LYS B   194              2.07            
REMARK 500   O    GLN B   199     H    GLU B   203              2.10            
REMARK 500   O    ILE B   183     H    GLU B   187              2.12            
REMARK 500  HE21  GLN B   199     OE1  GLU B   202              2.14            
REMARK 500   O    THR B   184     H    GLN B   188              2.16            
REMARK 500   O    GLN B   189     H    LEU B   193              2.18            
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 LEU B 167      -67.47   -144.88                                   
REMARK 500  1 SER B 168       16.68   -145.39                                   
REMARK 500  1 GLU B 170      -46.77   -148.93                                   
REMARK 500  2 LEU B 167      -75.52   -145.75                                   
REMARK 500  2 GLU B 170      -45.84   -150.73                                   
REMARK 500  3 LEU B 167      -82.75   -139.78                                   
REMARK 500  3 GLU B 170      -46.09   -150.64                                   
REMARK 500  4 LEU B 167      -84.08   -141.86                                   
REMARK 500  4 GLU B 170      -46.74   -148.96                                   
REMARK 500  5 MET A  56      -45.82   -142.23                                   
REMARK 500  5 LEU B 167      -84.07   -140.84                                   
REMARK 500  5 GLU B 170      -45.87   -149.33                                   
REMARK 500  6 LEU B 167      -77.59   -142.43                                   
REMARK 500  6 GLU B 170      -46.66   -148.23                                   
REMARK 500  6 LYS B 206       76.83     52.78                                   
REMARK 500  7 LEU B 167      -80.03   -149.66                                   
REMARK 500  7 GLU B 170      -46.66   -148.20                                   
REMARK 500  8 SER B 168       18.12   -165.84                                   
REMARK 500  8 LYS B 169       26.58     48.66                                   
REMARK 500  8 GLU B 170      -46.56   -154.44                                   
REMARK 500  8 LYS B 206       94.71     51.85                                   
REMARK 500  9 LEU B 167      -79.48   -146.26                                   
REMARK 500  9 GLU B 170      -46.49   -148.44                                   
REMARK 500 10 LYS A  54     -169.63   -126.40                                   
REMARK 500 10 MET A  56      -43.71   -135.03                                   
REMARK 500 10 SER B 168       14.74   -149.14                                   
REMARK 500 10 LYS B 169       26.21     49.94                                   
REMARK 500 10 GLU B 170      -46.48   -150.86                                   
REMARK 500 10 LYS B 206       87.07     52.89                                   
REMARK 500 11 LEU B 167      -82.62   -141.74                                   
REMARK 500 11 GLU B 170      -46.00   -148.79                                   
REMARK 500 11 LYS B 206       84.33     53.06                                   
REMARK 500 12 GLU A  55       28.20   -154.28                                   
REMARK 500 12 MET A  56      -44.03   -155.79                                   
REMARK 500 12 LEU B 167      -68.93   -144.64                                   
REMARK 500 12 SER B 168       16.41   -145.44                                   
REMARK 500 12 GLU B 170      -46.58   -149.14                                   
REMARK 500 13 SER B 168       15.23   -153.07                                   
REMARK 500 13 LYS B 169       26.19     49.78                                   
REMARK 500 13 GLU B 170      -47.56   -150.50                                   
REMARK 500 14 SER B 168       18.08   -167.53                                   
REMARK 500 14 LYS B 169       26.98     48.30                                   
REMARK 500 14 GLU B 170      -47.24   -151.32                                   
REMARK 500 14 LYS B 206       92.07     52.83                                   
REMARK 500 15 LEU B 167      -82.60   -141.35                                   
REMARK 500 15 GLU B 170      -45.58   -150.99                                   
REMARK 500 16 LEU B 167      -83.50   -141.32                                   
REMARK 500 16 GLU B 170      -46.38   -147.95                                   
REMARK 500 17 GLU A  55      -39.73   -169.56                                   
REMARK 500 17 LEU B 167      -61.98   -109.46                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     122 RAMACHANDRAN OUTLIERS.                        
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  1 ARG A  59         0.31    SIDE CHAIN                              
REMARK 500  1 ARG B 178         0.23    SIDE CHAIN                              
REMARK 500  1 ARG B 181         0.26    SIDE CHAIN                              
REMARK 500  2 ARG A  59         0.26    SIDE CHAIN                              
REMARK 500  2 ARG B 178         0.25    SIDE CHAIN                              
REMARK 500  2 ARG B 181         0.31    SIDE CHAIN                              
REMARK 500  3 ARG A  59         0.23    SIDE CHAIN                              
REMARK 500  3 ARG B 178         0.22    SIDE CHAIN                              
REMARK 500  3 ARG B 181         0.26    SIDE CHAIN                              
REMARK 500  4 ARG A  59         0.26    SIDE CHAIN                              
REMARK 500  4 ARG B 178         0.31    SIDE CHAIN                              
REMARK 500  4 ARG B 181         0.25    SIDE CHAIN                              
REMARK 500  5 ARG A  59         0.31    SIDE CHAIN                              
REMARK 500  5 ARG B 178         0.22    SIDE CHAIN                              
REMARK 500  5 ARG B 181         0.31    SIDE CHAIN                              
REMARK 500  6 ARG A  59         0.23    SIDE CHAIN                              
REMARK 500  6 ARG B 178         0.21    SIDE CHAIN                              
REMARK 500  6 ARG B 181         0.32    SIDE CHAIN                              
REMARK 500  7 ARG A  59         0.32    SIDE CHAIN                              
REMARK 500  7 ARG B 178         0.22    SIDE CHAIN                              
REMARK 500  7 ARG B 181         0.24    SIDE CHAIN                              
REMARK 500  8 ARG A  59         0.29    SIDE CHAIN                              
REMARK 500  8 ARG B 178         0.23    SIDE CHAIN                              
REMARK 500  8 ARG B 181         0.30    SIDE CHAIN                              
REMARK 500  9 ARG A  59         0.23    SIDE CHAIN                              
REMARK 500  9 ARG B 178         0.31    SIDE CHAIN                              
REMARK 500  9 ARG B 181         0.25    SIDE CHAIN                              
REMARK 500 10 ARG A  59         0.30    SIDE CHAIN                              
REMARK 500 10 ARG B 178         0.32    SIDE CHAIN                              
REMARK 500 10 ARG B 181         0.32    SIDE CHAIN                              
REMARK 500 11 ARG A  59         0.28    SIDE CHAIN                              
REMARK 500 11 ARG B 178         0.22    SIDE CHAIN                              
REMARK 500 11 ARG B 181         0.25    SIDE CHAIN                              
REMARK 500 12 ARG A  59         0.28    SIDE CHAIN                              
REMARK 500 12 ARG B 178         0.22    SIDE CHAIN                              
REMARK 500 12 ARG B 181         0.24    SIDE CHAIN                              
REMARK 500 13 ARG A  59         0.21    SIDE CHAIN                              
REMARK 500 13 ARG B 178         0.31    SIDE CHAIN                              
REMARK 500 13 ARG B 181         0.32    SIDE CHAIN                              
REMARK 500 14 ARG A  59         0.30    SIDE CHAIN                              
REMARK 500 14 ARG B 178         0.24    SIDE CHAIN                              
REMARK 500 14 ARG B 181         0.32    SIDE CHAIN                              
REMARK 500 15 ARG A  59         0.32    SIDE CHAIN                              
REMARK 500 15 ARG B 178         0.30    SIDE CHAIN                              
REMARK 500 15 ARG B 181         0.27    SIDE CHAIN                              
REMARK 500 16 ARG A  59         0.31    SIDE CHAIN                              
REMARK 500 16 ARG B 178         0.25    SIDE CHAIN                              
REMARK 500 16 ARG B 181         0.32    SIDE CHAIN                              
REMARK 500 17 ARG A  59         0.26    SIDE CHAIN                              
REMARK 500 17 ARG B 178         0.24    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     105 PLANE DEVIATIONS.                             
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2L5G A   53    90  UNP    Q6FHM8   Q6FHM8_HUMAN    53     90             
DBREF  2L5G B  167   207  UNP    C9JQE8   C9JQE8_HUMAN   167    207             
SEQADV 2L5G GLY B  166  UNP  C9JQE8              EXPRESSION TAG                 
SEQRES   1 A   38  LYS LYS GLU MET GLU GLU ARG MET SER LEU GLU GLU THR          
SEQRES   2 A   38  LYS GLU GLN ILE LEU LYS LEU GLU GLU LYS LEU LEU ALA          
SEQRES   3 A   38  LEU GLN GLU GLU LYS HIS GLN LEU PHE LEU GLN LEU              
SEQRES   1 B   42  GLY LEU SER LYS GLU GLU LEU ILE GLN ASN MET ASP ARG          
SEQRES   2 B   42  VAL ASP ARG GLU ILE THR MET VAL GLU GLN GLN ILE SER          
SEQRES   3 B   42  LYS LEU LYS LYS LYS GLN GLN GLN LEU GLU GLU GLU ALA          
SEQRES   4 B   42  ALA LYS PRO                                                  
HELIX    1   1 MET A   56  LEU A   90  1                                  35    
HELIX    2   2 GLU B  170  LYS B  206  1                                  37    
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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