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Database: PDB
Entry: 2KWH
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Original site: 2KWH 
HEADER    TRANSPORT PROTEIN                       12-APR-10   2KWH              
TITLE     RAL BINDING DOMAIN OF RLIP76 (RALBP1)                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RALA-BINDING PROTEIN 1;                                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 393-446;                                      
COMPND   5 SYNONYM: RALBP1, RAL-INTERACTING PROTEIN 1, 76 KDA RAL-INTERACTING   
COMPND   6 PROTEIN, DINITROPHENYL S-GLUTATHIONE ATPASE, DNP-SG ATPASE;          
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: RALBP1, RLIP1, RLIP76;                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGEX2T                                     
KEYWDS    GTPASE ACTIVATION, TRANSPORT PROTEIN                                  
EXPDTA    SOLUTION NMR                                                          
NUMMDL    50                                                                    
AUTHOR    R.B.FENWICK,L.J.CAMPBELL,K.RAJASEKAR,S.PRASANNAN,D.NIETLISPACH,       
AUTHOR   2 J.CAMONIS,D.OWEN,H.R.MOTT                                            
REVDAT   2   05-FEB-20 2KWH    1       REMARK SEQADV                            
REVDAT   1   01-SEP-10 2KWH    0                                                
JRNL        AUTH   R.B.FENWICK,L.J.CAMPBELL,K.RAJASEKAR,S.PRASANNAN,            
JRNL        AUTH 2 D.NIETLISPACH,J.CAMONIS,D.OWEN,H.R.MOTT                      
JRNL        TITL   THE RALB-RLIP76 COMPLEX REVEALS A NOVEL MODE OF RAL-EFFECTOR 
JRNL        TITL 2 INTERACTION                                                  
JRNL        REF    STRUCTURE                     V.  18   985 2010              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   20696399                                                     
JRNL        DOI    10.1016/J.STR.2010.05.013                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AZARA, CNS                                           
REMARK   3   AUTHORS     : BOUCHER (AZARA), BRUNGER, ADAMS, CLORE, GROS,        
REMARK   3                 NILGES AND READ (CNS)                                
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2KWH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-APR-10.                  
REMARK 100 THE DEPOSITION ID IS D_1000101659.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.3                                
REMARK 210  IONIC STRENGTH                 : 0.15                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 50 MM SODIUM PHOSPHATE-1, 100 MM   
REMARK 210                                   SODIUM CHLORIDE-2, 1 MM            
REMARK 210                                   MAGNESIUM CHLORIDE-3, 0.05 %       
REMARK 210                                   SODIUM AZIDE-4, 0.8 MM RLIP76-5,   
REMARK 210                                   90% H2O/10% D2O; 50 MM SODIUM      
REMARK 210                                   PHOSPHATE-6, 100 MM SODIUM         
REMARK 210                                   CHLORIDE-7, 1 MM MAGNESIUM         
REMARK 210                                   CHLORIDE-8, 0.05 % SODIUM AZIDE-   
REMARK 210                                   9, 0.8 MM [U-99% 15N] RLIP76-10,   
REMARK 210                                   90% H2O/10% D2O                    
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D 1H-15N NOESY;   
REMARK 210                                   3D 1H-15N TOCSY; 2D DQF-COSY; 2D   
REMARK 210                                   1H-1H TOCSY; 2D 1H-1H NOESY        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : ANALYSIS, ARIA, CNS                
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 50                                 
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 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   401    HH21  ARG A   404              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  2 ARG A 444      -55.23   -131.10                                   
REMARK 500  8 LEU A 416       38.52    -91.79                                   
REMARK 500  9 THR A 394       81.84   -153.21                                   
REMARK 500 10 LYS A 421       65.21   -109.50                                   
REMARK 500 11 LEU A 416       36.30    -87.62                                   
REMARK 500 12 SER A 392     -166.51     59.95                                   
REMARK 500 12 LEU A 416       30.36    -96.22                                   
REMARK 500 12 LYS A 421       73.04   -103.24                                   
REMARK 500 13 GLU A 393      -70.31    -73.23                                   
REMARK 500 13 THR A 394       77.82     50.58                                   
REMARK 500 13 LYS A 421       79.34   -114.48                                   
REMARK 500 14 GLU A 393       51.16    -95.24                                   
REMARK 500 15 SER A 392      -64.13   -138.99                                   
REMARK 500 17 SER A 392       78.10   -117.78                                   
REMARK 500 17 GLU A 393      102.76    -58.96                                   
REMARK 500 18 SER A 392     -166.11   -100.65                                   
REMARK 500 19 GLU A 445       35.04    -94.72                                   
REMARK 500 20 GLU A 393       90.63    -67.10                                   
REMARK 500 23 SER A 392      -64.51    -92.34                                   
REMARK 500 23 GLU A 445       34.42    -84.50                                   
REMARK 500 24 GLU A 393     -157.52   -123.07                                   
REMARK 500 24 THR A 394       99.48    -66.12                                   
REMARK 500 26 ASP A 415        4.08    -68.83                                   
REMARK 500 27 SER A 392      -85.34     63.14                                   
REMARK 500 27 THR A 394      124.84     71.83                                   
REMARK 500 27 GLN A 417      -98.25     52.23                                   
REMARK 500 28 SER A 392      -89.07   -101.19                                   
REMARK 500 28 GLU A 393      -96.76   -124.38                                   
REMARK 500 30 GLN A 417      -70.50     63.22                                   
REMARK 500 32 SER A 392      -51.26   -137.71                                   
REMARK 500 32 GLU A 393      -89.83     57.62                                   
REMARK 500 34 ARG A 444      -51.49   -138.24                                   
REMARK 500 35 SER A 392     -161.70     63.76                                   
REMARK 500 35 GLU A 393      102.19    -53.11                                   
REMARK 500 36 SER A 392      142.56     69.52                                   
REMARK 500 37 LEU A 416       43.79    -90.62                                   
REMARK 500 40 LEU A 423      -65.53   -136.74                                   
REMARK 500 40 ARG A 444      -44.93   -132.06                                   
REMARK 500 41 THR A 394      132.96     75.36                                   
REMARK 500 41 LYS A 421       62.88   -115.20                                   
REMARK 500 42 ARG A 444      -45.99   -138.53                                   
REMARK 500 44 SER A 392      -71.87    -93.50                                   
REMARK 500 44 GLU A 393      -92.49   -134.15                                   
REMARK 500 44 GLN A 417       18.37     53.41                                   
REMARK 500 45 GLU A 445       55.87   -112.64                                   
REMARK 500 46 SER A 392       69.94   -168.73                                   
REMARK 500 46 ARG A 444      -68.30   -104.97                                   
REMARK 500 46 GLU A 445       49.02    -93.28                                   
REMARK 500 47 GLN A 417     -159.53     54.44                                   
REMARK 500 48 GLU A 393      -81.67    -81.45                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      53 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 15524   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2KWI   RELATED DB: PDB                                   
DBREF  2KWH A  393   446  UNP    Q15311   RBP1_HUMAN     393    446             
SEQADV 2KWH GLY A  391  UNP  Q15311              EXPRESSION TAG                 
SEQADV 2KWH SER A  392  UNP  Q15311              EXPRESSION TAG                 
SEQADV 2KWH SER A  411  UNP  Q15311    CYS   411 ENGINEERED                     
SEQRES   1 A   56  GLY SER GLU THR GLN ALA GLY ILE LYS GLU GLU ILE ARG          
SEQRES   2 A   56  ARG GLN GLU PHE LEU LEU ASN SER LEU HIS ARG ASP LEU          
SEQRES   3 A   56  GLN GLY GLY ILE LYS ASP LEU SER LYS GLU GLU ARG LEU          
SEQRES   4 A   56  TRP GLU VAL GLN ARG ILE LEU THR ALA LEU LYS ARG LYS          
SEQRES   5 A   56  LEU ARG GLU ALA                                              
HELIX    1   1 THR A  394  ASP A  415  1                                  22    
HELIX    2   2 LEU A  423  GLU A  445  1                                  23    
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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