GenomeNet

Database: PDB
Entry: 2K85
LinkDB: 2K85
Original site: 2K85 
HEADER    PROTEIN BINDING                         02-SEP-08   2K85              
TITLE     P190-A RHOGAP FF1 DOMAIN                                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GLUCOCORTICOID RECEPTOR DNA-BINDING FACTOR 1;              
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 267-331;                                      
COMPND   5 SYNONYM: GLUCOCORTICOID RECEPTOR REPRESSION FACTOR 1, GRF-1, RHO GAP 
COMPND   6 P190A, P190-A;                                                       
COMPND   7 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: GRLF1, GRF1, KIAA1722;                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET_TRX;                                   
SOURCE  10 OTHER_DETAILS: CONTAINS A HIS-TAG, A THIOREDOXIN FUSION PROTEIN AND  
SOURCE  11 A TEV CLEAVAGE-SITE                                                  
KEYWDS    FF DOMAIN, P190-A RHOGAP, PROTEIN PHOSPHORYLATION, ALTERNATIVE        
KEYWDS   2 SPLICING, ANTI-ONCOGENE, CELL CYCLE, CYTOPLASM, DNA-BINDING, GTPASE  
KEYWDS   3 ACTIVATION, NUCLEUS, PHOSPHOPROTEIN, REPRESSOR, TRANSCRIPTION,       
KEYWDS   4 TRANSCRIPTION REGULATION, PROTEIN BINDING                            
EXPDTA    SOLUTION NMR                                                          
NUMMDL    15                                                                    
AUTHOR    R.BONET,L.RUIZ,P.MARTIN-MALPARTIDA,M.MACIAS                           
REVDAT   3   19-FEB-20 2K85    1       REMARK SEQADV                            
REVDAT   2   16-JUN-09 2K85    1       JRNL                                     
REVDAT   1   19-MAY-09 2K85    0                                                
JRNL        AUTH   R.BONET,L.RUIZ,E.ARAGON,P.MARTIN-MALPARTIDA,M.J.MACIAS       
JRNL        TITL   NMR STRUCTURAL STUDIES ON HUMAN P190-A RHOGAPFF1 REVEALED    
JRNL        TITL 2 THAT DOMAIN PHOSPHORYLATION BY THE PDGF-RECEPTOR ALPHA       
JRNL        TITL 3 REQUIRES ITS PREVIOUS UNFOLDING.                             
JRNL        REF    J.MOL.BIOL.                   V. 389   230 2009              
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   19393245                                                     
JRNL        DOI    10.1016/J.JMB.2009.04.035                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : ARIA, ARIA                                           
REMARK   3   AUTHORS     : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ         
REMARK   3                 (ARIA), BRUNGER, ADAMS, CLORE, GROS, NILGES AND      
REMARK   3                 READ (ARIA)                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2K85 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-SEP-08.                  
REMARK 100 THE DEPOSITION ID IS D_1000100796.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 285                                
REMARK 210  PH                             : 7.2                                
REMARK 210  IONIC STRENGTH                 : 0.2                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM P190-A RHOGAP FF1 DOMAIN,     
REMARK 210                                   50 MM SODIUM PHOSPHATE, 150 MM     
REMARK 210                                   SODIUM CHLORIDE, 0.5 MM SODIUM     
REMARK 210                                   AZIDE, 90% H2O/10% D2O; 0.5 MM     
REMARK 210                                   [U-100% 13C; U-100% 15N] P190-A    
REMARK 210                                   RHOGAP FF1 DOMAIN, 50 MM SODIUM    
REMARK 210                                   PHOSPHATE, 150 MM SODIUM           
REMARK 210                                   CHLORIDE, 0.5 MM SODIUM AZIDE,     
REMARK 210                                   90% H2O/10% D2O; 0.5 MM [U-100%    
REMARK 210                                   13C; U-100% 15N] P190-A RHOGAP     
REMARK 210                                   FF1 DOMAIN, 50 MM SODIUM           
REMARK 210                                   PHOSPHATE, 150 MM SODIUM           
REMARK 210                                   CHLORIDE, 0.5 MM SODIUM AZIDE,     
REMARK 210                                   100% D2O                           
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H NOESY;    
REMARK 210                                   3D CBCA(CO)NH; 3D HNCACB; 3D 1H-   
REMARK 210                                   15N NOESY; 3D HNHA; 3D HCCH-       
REMARK 210                                   TOCSY; 3D 1H-13C NOESY             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XEASY, NMRPIPE                     
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 80                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 15                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   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 1-15                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     GLY A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     MET A     3                                                      
REMARK 465     GLY A     4                                                      
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   HA   HIS A    64     HE2  LYS A    67              1.26            
REMARK 500   OE1  GLU A    50     HZ2  LYS A    54              1.59            
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 ALA A   9      -65.22    -92.64                                   
REMARK 500  1 ILE A  22      -63.53   -103.59                                   
REMARK 500  1 LYS A  24      -64.46    -99.20                                   
REMARK 500  1 HIS A  26      -11.19     63.13                                   
REMARK 500  1 GLU A  50      -74.49    -84.64                                   
REMARK 500  1 HIS A  68       96.19   -176.71                                   
REMARK 500  2 LYS A  24      -52.48   -133.67                                   
REMARK 500  2 HIS A  26       -5.05     60.34                                   
REMARK 500  2 GLU A  50      -76.18    -83.76                                   
REMARK 500  2 HIS A  68       91.34   -172.25                                   
REMARK 500  3 ILE A  22      -66.00   -108.88                                   
REMARK 500  3 HIS A  26      -12.14     64.06                                   
REMARK 500  3 ASN A  27       33.41    -84.98                                   
REMARK 500  3 GLU A  50      -71.47    -84.53                                   
REMARK 500  3 HIS A  68      104.78   -175.24                                   
REMARK 500  4 ILE A  22      -68.04   -107.60                                   
REMARK 500  4 HIS A  26       -0.06     60.60                                   
REMARK 500  4 LYS A  36      -72.22    -52.32                                   
REMARK 500  4 GLU A  50      -92.39    -88.75                                   
REMARK 500  4 HIS A  68       97.64   -167.76                                   
REMARK 500  5 ILE A  22      -69.71   -105.88                                   
REMARK 500  5 LYS A  24      -60.52   -109.94                                   
REMARK 500  5 HIS A  26      -14.62     65.19                                   
REMARK 500  5 ALA A  39       23.11    -79.99                                   
REMARK 500  5 HIS A  68      116.29   -175.56                                   
REMARK 500  6 GLN A   7      -49.59   -156.31                                   
REMARK 500  6 ILE A  22      -66.29   -105.52                                   
REMARK 500  6 HIS A  26       -2.81     62.28                                   
REMARK 500  6 ASN A  27       30.55    -92.74                                   
REMARK 500  6 GLU A  50      -75.39    -83.37                                   
REMARK 500  6 HIS A  68      101.98   -175.67                                   
REMARK 500  7 GLN A   7      -50.06     71.72                                   
REMARK 500  7 HIS A  26       -2.16     59.72                                   
REMARK 500  7 ASN A  27       34.95    -89.80                                   
REMARK 500  7 GLU A  50      -84.56    -96.42                                   
REMARK 500  7 HIS A  68       91.45   -162.31                                   
REMARK 500  8 GLN A   7      -41.62   -179.20                                   
REMARK 500  8 ILE A  22      -66.14   -107.58                                   
REMARK 500  8 HIS A  26        8.90     52.25                                   
REMARK 500  8 ALA A  39       42.27    -79.56                                   
REMARK 500  8 GLU A  50      -73.92    -89.69                                   
REMARK 500  8 HIS A  68      101.34   -170.06                                   
REMARK 500  9 HIS A  26        6.94     56.50                                   
REMARK 500  9 ASN A  27       41.80    -89.46                                   
REMARK 500  9 ALA A  39       21.48    -76.97                                   
REMARK 500  9 GLU A  50      -81.65    -83.46                                   
REMARK 500  9 HIS A  68       97.42   -174.46                                   
REMARK 500 10 GLN A   6      -49.77     66.89                                   
REMARK 500 10 ILE A  22      -69.71   -103.64                                   
REMARK 500 10 HIS A  26       -2.75     58.95                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      83 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 15938   RELATED DB: BMRB                                 
DBREF  2K85 A    5    69  UNP    Q9NRY4   GRLF1_HUMAN    267    331             
SEQADV 2K85 GLY A    1  UNP  Q9NRY4              EXPRESSION TAG                 
SEQADV 2K85 ALA A    2  UNP  Q9NRY4              EXPRESSION TAG                 
SEQADV 2K85 MET A    3  UNP  Q9NRY4              EXPRESSION TAG                 
SEQADV 2K85 GLY A    4  UNP  Q9NRY4              EXPRESSION TAG                 
SEQRES   1 A   69  GLY ALA MET GLY SER GLN GLN ILE ALA THR ALA LYS ASP          
SEQRES   2 A   69  LYS TYR GLU TRP LEU VAL SER ARG ILE VAL LYS ASN HIS          
SEQRES   3 A   69  ASN GLU ASN TRP LEU SER VAL SER ARG LYS MET GLN ALA          
SEQRES   4 A   69  SER PRO GLU TYR GLN ASP TYR VAL TYR LEU GLU GLY THR          
SEQRES   5 A   69  GLN LYS ALA LYS LYS LEU PHE LEU GLN HIS ILE HIS ARG          
SEQRES   6 A   69  LEU LYS HIS GLU                                              
HELIX    1   1 ALA A    9  VAL A   23  1                                  15    
HELIX    2   2 ASN A   29  GLN A   38  1                                  10    
HELIX    3   3 SER A   40  GLU A   50  1                                  11    
HELIX    4   4 GLY A   51  GLU A   69  1                                  19    
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