GenomeNet

Database: PDB
Entry: 2KMD
LinkDB: 2KMD
Original site: 2KMD 
HEADER    TRANSCRIPTION, PROTEIN BINDING          27-JUL-09   2KMD              
TITLE     RAS SIGNALING REQUIRES DYNAMIC PROPERTIES OF ETS1 FOR PHOSPHORYLATION-
TITLE    2 ENHANCED BINDING TO CO-ACTIVATOR CBP                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN C-ETS-1;                                           
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: P54;                                                        
COMPND   5 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: ETS1, ETS-1;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
KEYWDS    PNT DOMAIN, SAM DOMAIN, ETS-1, MAPK PHOSPHORYLATION, PHOSPHOPROTEIN,  
KEYWDS   2 PROTO-ONCOGENE, TRANSCRIPTION, TRANSCRIPTION REGULATION, PROTEIN     
KEYWDS   3 BINDING, CONFORMATIONAL DYNAMICS                                     
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    M.L.NELSON,H.KANG,G.M.LEE,A.G.BLASZCZAK,D.K.W.LAU,L.P.MCINTOSH,       
AUTHOR   2 B.J.GRAVES                                                           
REVDAT   3   21-MAR-12 2KMD    1       JRNL   VERSN                             
REVDAT   2   09-JUN-10 2KMD    1       JRNL                                     
REVDAT   1   05-MAY-10 2KMD    0                                                
JRNL        AUTH   M.L.NELSON,H.S.KANG,G.M.LEE,A.G.BLASZCZAK,D.K.LAU,           
JRNL        AUTH 2 L.P.MCINTOSH,B.J.GRAVES                                      
JRNL        TITL   RAS SIGNALING REQUIRES DYNAMIC PROPERTIES OF ETS1 FOR        
JRNL        TITL 2 PHOSPHORYLATION-ENHANCED BINDING TO COACTIVATOR CBP.         
JRNL        REF    PROC.NATL.ACAD.SCI.USA        V. 107 10026 2010              
JRNL        REFN                   ISSN 0027-8424                               
JRNL        PMID   20534573                                                     
JRNL        DOI    10.1073/PNAS.0915137107                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : SCULPTOR                                             
REMARK   3   AUTHORS     : (SCULPTOR)-MARTIN BLACKLEDGE                         
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2KMD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JUL-09.                  
REMARK 100 THE RCSB ID CODE IS RCSB101299.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 20                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM [U-100% 13C; U-100% 15N] 2P   
REMARK 210                                   -ETS1PNT, 90% H2O/10% D2O          
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   3D HNCACB; 3D HCCH-TOCSY; 3D 1H-   
REMARK 210                                   15N NOESY; 3D 1H-15N TOCSY; 3D 1H  
REMARK 210                                   -13C NOESY; 3D CBCA(CO)NH; IPAP;   
REMARK 210                                   CLEANEX; T1_T2_HNNOE; HNCOCA_HACA  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA, SPARKY, NMRDRAW, MOLMOL,    
REMARK 210                                   PROCHECKNMR, VNMR, TALOS           
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 500                                
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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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    26                                                      
REMARK 465     SER A    27                                                      
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 MET A  29      -72.07     72.09                                   
REMARK 500  1 ALA A  32       81.41     55.20                                   
REMARK 500  1 PRO A  35      105.06    -55.68                                   
REMARK 500  1 LEU A  36      -67.37   -150.43                                   
REMARK 500  1 LEU A  37       51.76   -147.66                                   
REMARK 500  1 GLN A  71       36.74    -93.97                                   
REMARK 500  1 PHE A  98       33.45    -99.50                                   
REMARK 500  1 PHE A 120      -61.10   -108.21                                   
REMARK 500  1 ASP A 136       75.59   -114.33                                   
REMARK 500  2 MET A  29      -67.92     71.77                                   
REMARK 500  2 CYS A  31       97.41    -65.50                                   
REMARK 500  2 ALA A  32      -52.57   -163.53                                   
REMARK 500  2 ASP A  33       46.67   -155.71                                   
REMARK 500  2 TPO A  38      122.69    179.01                                   
REMARK 500  2 PRO A  39       96.23    -52.83                                   
REMARK 500  2 LYS A  67       39.74    -97.21                                   
REMARK 500  2 GLN A  71       34.92    -96.77                                   
REMARK 500  2 PRO A 118      167.72    -44.23                                   
REMARK 500  3 GLU A  30      -42.29   -143.92                                   
REMARK 500  3 LEU A  37       74.85   -101.11                                   
REMARK 500  3 PRO A  39       95.75    -43.90                                   
REMARK 500  3 SER A  40     -165.13   -177.37                                   
REMARK 500  3 PHE A  53       41.57   -101.21                                   
REMARK 500  3 LYS A  67       45.95   -100.84                                   
REMARK 500  3 GLN A  71       35.03    -95.70                                   
REMARK 500  3 PHE A  98       33.50    -99.96                                   
REMARK 500  3 PRO A 118      169.04    -48.53                                   
REMARK 500  4 MET A  29      137.32     70.95                                   
REMARK 500  4 PRO A  35      104.73    -48.06                                   
REMARK 500  4 LEU A  36      145.56   -171.82                                   
REMARK 500  4 LEU A  37       89.69    -69.23                                   
REMARK 500  4 LYS A  67       43.63    -97.53                                   
REMARK 500  4 GLN A  71       44.31    -99.95                                   
REMARK 500  4 PHE A  98       34.73    -97.58                                   
REMARK 500  4 PRO A 118      172.32    -54.79                                   
REMARK 500  4 GLU A 135       95.45    -63.52                                   
REMARK 500  4 ASP A 136       65.32     60.55                                   
REMARK 500  5 PRO A  39      100.86    -43.55                                   
REMARK 500  5 SER A  40     -173.82   -174.20                                   
REMARK 500  5 LYS A  67       48.11   -101.01                                   
REMARK 500  5 GLN A  71       42.21    -97.85                                   
REMARK 500  5 PRO A 118      164.09    -43.02                                   
REMARK 500  5 GLN A 133      -71.54    -68.70                                   
REMARK 500  5 LYS A 134       55.79   -177.78                                   
REMARK 500  6 MET A  29      -73.35     73.32                                   
REMARK 500  6 GLU A  30       33.65   -161.06                                   
REMARK 500  6 LEU A  36      106.98   -174.71                                   
REMARK 500  6 PRO A  39       98.73    -47.10                                   
REMARK 500  6 SER A  40      -80.16   -172.66                                   
REMARK 500  6 LYS A  67       34.36    -99.24                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     136 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2JV3   RELATED DB: PDB                                   
DBREF  2KMD A   29   138  UNP    P27577   ETS1_MOUSE      29    138             
SEQADV 2KMD GLY A   26  UNP  P27577              EXPRESSION TAG                 
SEQADV 2KMD SER A   27  UNP  P27577              EXPRESSION TAG                 
SEQADV 2KMD HIS A   28  UNP  P27577              EXPRESSION TAG                 
SEQRES   1 A  113  GLY SER HIS MET GLU CYS ALA ASP VAL PRO LEU LEU TPO          
SEQRES   2 A  113  PRO SER SEP LYS GLU MET MET SER GLN ALA LEU LYS ALA          
SEQRES   3 A  113  THR PHE SER GLY PHE THR LYS GLU GLN GLN ARG LEU GLY          
SEQRES   4 A  113  ILE PRO LYS ASP PRO ARG GLN TRP THR GLU THR HIS VAL          
SEQRES   5 A  113  ARG ASP TRP VAL MET TRP ALA VAL ASN GLU PHE SER LEU          
SEQRES   6 A  113  LYS GLY VAL ASP PHE GLN LYS PHE CYS MET SER GLY ALA          
SEQRES   7 A  113  ALA LEU CYS ALA LEU GLY LYS GLU CYS PHE LEU GLU LEU          
SEQRES   8 A  113  ALA PRO ASP PHE VAL GLY ASP ILE LEU TRP GLU HIS LEU          
SEQRES   9 A  113  GLU ILE LEU GLN LYS GLU ASP VAL LYS                          
MODRES 2KMD TPO A   38  THR  PHOSPHOTHREONINE                                   
MODRES 2KMD SEP A   41  SER  PHOSPHOSERINE                                      
HET    TPO  A  38      17                                                       
HET    SEP  A  41      14                                                       
HETNAM     TPO PHOSPHOTHREONINE                                                 
HETNAM     SEP PHOSPHOSERINE                                                    
HETSYN     TPO PHOSPHONOTHREONINE                                               
HETSYN     SEP PHOSPHONOSERINE                                                  
FORMUL   1  TPO    C4 H10 N O6 P                                                
FORMUL   1  SEP    C3 H8 N O6 P                                                 
HELIX    1   1 LYS A   42  THR A   52  1                                  11    
HELIX    2   2 SER A   54  ARG A   62  1                                   9    
HELIX    3   3 GLU A   74  GLU A   87  1                                  14    
HELIX    4   4 PHE A   95  PHE A   98  1                                   4    
HELIX    5   5 GLY A  102  ALA A  107  1                                   6    
HELIX    6   6 GLY A  109  LEU A  116  1                                   8    
HELIX    7   7 ASP A  119  LYS A  134  1                                  16    
LINK         C   LEU A  37                 N   TPO A  38     1555   1555  1.33  
LINK         C   TPO A  38                 N   PRO A  39     1555   1555  1.35  
LINK         C   SER A  40                 N   SEP A  41     1555   1555  1.34  
LINK         C   SEP A  41                 N   LYS A  42     1555   1555  1.34  
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                                                                             
DBGET integrated database retrieval system