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Database: PDB
Entry: 2MBG
LinkDB: 2MBG
Original site: 2MBG 
HEADER    PROTEIN BINDING                         30-JUL-13   2MBG              
TITLE     RLIP76 (GAP-GBD)                                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: RALA-BINDING PROTEIN 1;                                    
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 184-446;                                      
COMPND   5 SYNONYM: RALBP1, 76 KDA RAL-INTERACTING PROTEIN, DINITROPHENYL S-    
COMPND   6 GLUTATHIONE ATPASE, DNP-SG ATPASE, RAL-INTERACTING PROTEIN 1;        
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: RALBP1, RLIP1, RLIP76;                                         
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET16B                                    
KEYWDS    RHOGAP, RALBP1, PROTEIN BINDING                                       
EXPDTA    SOLUTION NMR                                                          
NUMMDL    35                                                                    
AUTHOR    K.V.RAJASEKAR,L.J.CAMPBELL,D.NIETLISPACH,D.OWEN,H.R.MOTT              
REVDAT   2   25-DEC-13 2MBG    1       JRNL                                     
REVDAT   1   04-DEC-13 2MBG    0                                                
JRNL        AUTH   K.V.RAJASEKAR,L.J.CAMPBELL,D.NIETLISPACH,D.OWEN,H.R.MOTT     
JRNL        TITL   THE STRUCTURE OF THE RLIP76 RHOGAP-RAL BINDING DOMAIN DYAD:  
JRNL        TITL 2 FIXED POSITION OF THE DOMAINS LEADS TO DUAL ENGAGEMENT OF    
JRNL        TITL 3 SMALL G PROTEINS AT THE MEMBRANE.                            
JRNL        REF    STRUCTURE                     V.  21  2131 2013              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   24207123                                                     
JRNL        DOI    10.1016/J.STR.2013.09.007                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS                                                  
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,    
REMARK   3  JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: ARIA BASED WATER REFINEMENT               
REMARK   4                                                                      
REMARK   4 2MBG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-AUG-13.                  
REMARK 100 THE RCSB ID CODE IS RCSB103441.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.9                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 0.7 MM RLIP76-GAP-GBD, 20 MM       
REMARK 210                                   TRIS, 100 MM SODIUM CHLORIDE,      
REMARK 210                                   0.05 % SODIUM AZIDE, 5 MM DTT, 90  
REMARK 210                                   % H20, 10 % D20, 90% H2O/10% D2O;  
REMARK 210                                   0.7 MM [U-100% 15N] RLIP76-GAP-    
REMARK 210                                   GBD, 20 MM TRIS, 100 MM SODIUM     
REMARK 210                                   CHLORIDE, 0.05 % SODIUM AZIDE, 5   
REMARK 210                                   MM DTT, 90 % H20, 10 % D20, 90%    
REMARK 210                                   H2O/10% D2O; 0.6 MM [U-100% 13C;   
REMARK 210                                   U-100% 15N] RLIP76-GAP-GBD, 20 MM  
REMARK 210                                   TRIS, 100 MM SODIUM CHLORIDE,      
REMARK 210                                   0.05 % SODIUM AZIDE, 5 MM DTT, 90  
REMARK 210                                   % H20, 10 % D20, 90% H2O/10% D2O;  
REMARK 210                                   0.4 MM [U-100% 13C; U-100% 15N; U  
REMARK 210                                   -80% 2H] RLIP76-GAP-GBD, 20 MM     
REMARK 210                                   TRIS, 100 MM SODIUM CHLORIDE,      
REMARK 210                                   0.05 % SODIUM AZIDE, 5 MM DTT, 90  
REMARK 210                                   % H20, 10 % D20, 90% H2O/10% D2O   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N-TROSY; 3D HNCA; 3D       
REMARK 210                                   HN(CO)CA; 3D HN(CA)CB; 3D          
REMARK 210                                   HN(COCA)CB; 3D HNCO; 3D 1H-15N     
REMARK 210                                   NOESY; 3D HBHA(CBCACO)NH; 3D H(C)  
REMARK 210                                   CH TOCSY; 3D (H)CCH TOCSY; 3D 1H-  
REMARK 210                                   13C NOESY; 2D 1H-13C HSQC; 3D      
REMARK 210                                   H(C)CH COSY                        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DRX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : AZARA, CCPN-ANALYSIS               
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
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: 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   256     HZ3  LYS A   378              1.55            
REMARK 500   HZ2  LYS A   442     OE1  GLU A   445              1.56            
REMARK 500   OD2  ASP A   415     HZ2  LYS A   425              1.57            
REMARK 500   OD1  ASP A   218     HZ1  LYS A   222              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 ASN A 185      150.34     74.35                                   
REMARK 500  1 LYS A 187       90.60     65.13                                   
REMARK 500  1 ILE A 189      -44.57   -139.42                                   
REMARK 500  1 MET A 203      -76.23   -106.53                                   
REMARK 500  1 TYR A 204      -87.51    -79.25                                   
REMARK 500  1 ILE A 207       27.65    -71.65                                   
REMARK 500  1 ARG A 208       74.47     58.07                                   
REMARK 500  1 LEU A 209      138.01   -172.99                                   
REMARK 500  1 THR A 280      173.64     54.45                                   
REMARK 500  1 GLN A 351       38.56     80.16                                   
REMARK 500  1 SER A 353      150.66    -46.74                                   
REMARK 500  1 PHE A 368     -144.38   -107.27                                   
REMARK 500  1 ALA A 386      -57.51     73.42                                   
REMARK 500  1 MET A 388      -52.44   -156.68                                   
REMARK 500  1 THR A 390       -0.94   -145.89                                   
REMARK 500  2 LYS A 187       90.07     62.73                                   
REMARK 500  2 ILE A 189      -53.38    -22.81                                   
REMARK 500  2 MET A 203      -90.59   -108.76                                   
REMARK 500  2 TYR A 204      -90.70    -71.41                                   
REMARK 500  2 ARG A 208       86.51    -28.62                                   
REMARK 500  2 LEU A 209      130.07   -172.90                                   
REMARK 500  2 TYR A 231      -35.85     77.03                                   
REMARK 500  2 GLU A 250       -7.29     84.12                                   
REMARK 500  2 GLU A 251      136.33     81.17                                   
REMARK 500  2 SER A 252       89.68   -164.18                                   
REMARK 500  2 THR A 280     -178.88     53.57                                   
REMARK 500  2 LYS A 336      -12.09    133.36                                   
REMARK 500  2 MET A 337     -168.14    -75.81                                   
REMARK 500  2 GLN A 351       42.41     79.03                                   
REMARK 500  2 PHE A 368      -79.72   -106.06                                   
REMARK 500  2 ARG A 381       31.95    -94.94                                   
REMARK 500  2 SER A 383       15.89     59.29                                   
REMARK 500  2 MET A 385      -56.68   -172.77                                   
REMARK 500  2 ALA A 386      -79.56     47.73                                   
REMARK 500  2 THR A 387      -79.38   -131.95                                   
REMARK 500  2 MET A 388      -55.19    178.09                                   
REMARK 500  2 THR A 390      -18.29    168.87                                   
REMARK 500  3 MET A 183      119.56   -161.24                                   
REMARK 500  3 LYS A 187       96.32     65.44                                   
REMARK 500  3 ILE A 189      -54.21    -21.23                                   
REMARK 500  3 THR A 201       40.84   -107.56                                   
REMARK 500  3 MET A 202      171.89    -59.88                                   
REMARK 500  3 MET A 203     -121.65   -170.96                                   
REMARK 500  3 TYR A 204      -84.84    -46.01                                   
REMARK 500  3 ILE A 207       41.97    -80.27                                   
REMARK 500  3 GLU A 250       74.99     62.49                                   
REMARK 500  3 THR A 280     -178.58     51.08                                   
REMARK 500  3 LYS A 336      -27.75    158.56                                   
REMARK 500  3 GLN A 351       42.73     78.35                                   
REMARK 500  3 PHE A 368      -95.42   -145.57                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     636 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 17608   RELATED DB: BMRB                                 
DBREF  2MBG A  184   446  UNP    Q15311   RBP1_HUMAN     184    446             
SEQADV 2MBG HIS A  182  UNP  Q15311              EXPRESSION TAG                 
SEQADV 2MBG MET A  183  UNP  Q15311              EXPRESSION TAG                 
SEQRES   1 A  265  HIS MET PRO ASN LEU LYS PRO ILE PHE GLY ILE PRO LEU          
SEQRES   2 A  265  ALA ASP ALA VAL GLU ARG THR MET MET TYR ASP GLY ILE          
SEQRES   3 A  265  ARG LEU PRO ALA VAL PHE ARG GLU CYS ILE ASP TYR VAL          
SEQRES   4 A  265  GLU LYS TYR GLY MET LYS CYS GLU GLY ILE TYR ARG VAL          
SEQRES   5 A  265  SER GLY ILE LYS SER LYS VAL ASP GLU LEU LYS ALA ALA          
SEQRES   6 A  265  TYR ASP ARG GLU GLU SER THR ASN LEU GLU ASP TYR GLU          
SEQRES   7 A  265  PRO ASN THR VAL ALA SER LEU LEU LYS GLN TYR LEU ARG          
SEQRES   8 A  265  ASP LEU PRO GLU ASN LEU LEU THR LYS GLU LEU MET PRO          
SEQRES   9 A  265  ARG PHE GLU GLU ALA CYS GLY ARG THR THR GLU THR GLU          
SEQRES  10 A  265  LYS VAL GLN GLU PHE GLN ARG LEU LEU LYS GLU LEU PRO          
SEQRES  11 A  265  GLU CYS ASN TYR LEU LEU ILE SER TRP LEU ILE VAL HIS          
SEQRES  12 A  265  MET ASP HIS VAL ILE ALA LYS GLU LEU GLU THR LYS MET          
SEQRES  13 A  265  ASN ILE GLN ASN ILE SER ILE VAL LEU SER PRO THR VAL          
SEQRES  14 A  265  GLN ILE SER ASN ARG VAL LEU TYR VAL PHE PHE THR HIS          
SEQRES  15 A  265  VAL GLN GLU LEU PHE GLY ASN VAL VAL LEU LYS GLN VAL          
SEQRES  16 A  265  MET LYS PRO LEU ARG TRP SER ASN MET ALA THR MET PRO          
SEQRES  17 A  265  THR LEU PRO GLU THR GLN ALA GLY ILE LYS GLU GLU ILE          
SEQRES  18 A  265  ARG ARG GLN GLU PHE LEU LEU ASN CYS LEU HIS ARG ASP          
SEQRES  19 A  265  LEU GLN GLY GLY ILE LYS ASP LEU SER LYS GLU GLU ARG          
SEQRES  20 A  265  LEU TRP GLU VAL GLN ARG ILE LEU THR ALA LEU LYS ARG          
SEQRES  21 A  265  LYS LEU ARG GLU ALA                                          
HELIX    1   1 PRO A  193  THR A  201  1                                   9    
HELIX    2   2 PRO A  210  TYR A  223  1                                  14    
HELIX    3   3 ILE A  236  ARG A  249  1                                  14    
HELIX    4   4 ASN A  254  TYR A  258  5                                   5    
HELIX    5   5 GLU A  259  LEU A  274  1                                  16    
HELIX    6   6 LEU A  279  GLY A  292  1                                  14    
HELIX    7   7 THR A  295  LEU A  310  1                                  16    
HELIX    8   8 PRO A  311  THR A  335  1                                  25    
HELIX    9   9 ASN A  338  GLN A  351  1                                  14    
HELIX   10  10 SER A  353  PHE A  368  1                                  16    
HELIX   11  11 THR A  394  GLN A  417  1                                  24    
HELIX   12  12 ASP A  422  ARG A  444  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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