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Database: PDB
Entry: 2LNX
LinkDB: 2LNX
Original site: 2LNX 
HEADER    SIGNALING PROTEIN                       05-JAN-12   2LNX              
TITLE     SOLUTION STRUCTURE OF VAV2 SH2 DOMAIN                                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GUANINE NUCLEOTIDE EXCHANGE FACTOR VAV2;                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 659-771;                                      
COMPND   5 SYNONYM: VAV-2;                                                      
COMPND   6 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: VAV2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
KEYWDS    SIGNALING PROTEIN                                                     
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    B.WU,J.ZHANG,J.WU,Y.SHI                                               
REVDAT   1   21-NOV-12 2LNX    0                                                
JRNL        AUTH   B.WU,F.WANG,J.ZHANG,Z.ZHANG,L.QIN,J.PENG,F.LI,J.LIU,G.LU,    
JRNL        AUTH 2 Q.GONG,X.YAO,J.WU,Y.SHI                                      
JRNL        TITL   IDENTIFICATION AND STRUCTURAL BASIS FOR A NOVEL INTERACTION  
JRNL        TITL 2 BETWEEN VAV2 AND ARAP3.                                      
JRNL        REF    J.STRUCT.BIOL.                V. 180    84 2012              
JRNL        REFN                   ISSN 1047-8477                               
JRNL        PMID   22750419                                                     
JRNL        DOI    10.1016/J.JSB.2012.06.011                                    
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: NULL                                      
REMARK   4                                                                      
REMARK   4 2LNX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-JAN-12.                  
REMARK 100 THE RCSB ID CODE IS RCSB102615.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 293                                
REMARK 210  PH                             : 6.2                                
REMARK 210  IONIC STRENGTH                 : 120                                
REMARK 210  PRESSURE                       : NULL                               
REMARK 210  SAMPLE CONTENTS                : 1 MM [U-13C; U-15N] ENTITY-1, 5    
REMARK 210                                   MM DTT-2, 75 MM SODIUM CHLORIDE-   
REMARK 210                                   3, 5 MM POTASSIUM PHOSPHATE-4, 20  
REMARK 210                                   MM SODIUM PHOSPHATE-5, 1 MM EDTA-  
REMARK 210                                   6, 90% H2O/10% D2O; 1 MM [U-13C;   
REMARK 210                                   U-15N] ENTITY-7, 75 MM SODIUM      
REMARK 210                                   CHLORIDE-8, 5 MM DTT-9, 5 MM       
REMARK 210                                   POTASSIUM PHOSPHATE-10, 20 MM      
REMARK 210                                   SODIUM PHOSPHATE-11, 1 MM EDTA-    
REMARK 210                                   12, 100% D2O                       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 3D CBCA(CO)NH;     
REMARK 210                                   3D HNCACB; 3D HNCO; 3D HCACO; 3D   
REMARK 210                                   C(CO)NH; 3D H(CCO)NH; 3D HBHA(CO)  
REMARK 210                                   NH; 3D 1H-15N NOESY; 3D HCCH-      
REMARK 210                                   TOCSY; 3D HCCH-COSY; 3D 1H-13C     
REMARK 210                                   NOESY                              
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE, SPARKY, CNS               
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
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     MET A   650                                                      
REMARK 465     GLY A   651                                                      
REMARK 465     HIS A   652                                                      
REMARK 465     HIS A   653                                                      
REMARK 465     HIS A   654                                                      
REMARK 465     HIS A   655                                                      
REMARK 465     HIS A   656                                                      
REMARK 465     HIS A   657                                                      
REMARK 465     MET A   658                                                      
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 PRO A 662     -178.61    -64.92                                   
REMARK 500  1 ARG A 664     -174.00   -172.71                                   
REMARK 500  1 GLU A 665     -145.52   -127.36                                   
REMARK 500  1 ASN A 677       70.36     55.70                                   
REMARK 500  1 PRO A 701       96.51    -69.62                                   
REMARK 500  1 ALA A 704      -72.32    -89.46                                   
REMARK 500  1 HIS A 730      133.25   -171.35                                   
REMARK 500  1 ASP A 760       51.16   -119.67                                   
REMARK 500  1 LYS A 764      -74.30   -100.16                                   
REMARK 500  1 SER A 769      -82.76   -170.67                                   
REMARK 500  1 ARG A 770       99.82   -167.35                                   
REMARK 500  2 GLU A 665      149.16   -175.83                                   
REMARK 500  2 ASN A 677       44.67    -94.02                                   
REMARK 500  2 ARG A 700       94.80   -167.53                                   
REMARK 500  2 ARG A 706      -67.21   -153.31                                   
REMARK 500  2 GLU A 733       34.34    -96.24                                   
REMARK 500  2 PRO A 766     -170.46    -66.57                                   
REMARK 500  3 ARG A 660       77.97   -116.98                                   
REMARK 500  3 ARG A 664      -40.67   -177.44                                   
REMARK 500  3 ASP A 667       67.39   -107.54                                   
REMARK 500  3 ALA A 702     -169.69   -163.21                                   
REMARK 500  3 ALA A 704      -54.62   -155.12                                   
REMARK 500  3 ARG A 706       34.09   -156.45                                   
REMARK 500  3 THR A 732     -177.82   -179.58                                   
REMARK 500  3 LYS A 764      -64.92   -106.09                                   
REMARK 500  3 LYS A 768      -70.58    -94.33                                   
REMARK 500  3 SER A 769      -81.35   -172.96                                   
REMARK 500  3 ARG A 770       44.30   -152.30                                   
REMARK 500  4 ARG A 660      117.62   -164.02                                   
REMARK 500  4 ASP A 667       74.73   -109.04                                   
REMARK 500  4 HIS A 730      143.23   -174.64                                   
REMARK 500  4 THR A 732     -155.82   -130.06                                   
REMARK 500  4 ASP A 760       78.27   -101.44                                   
REMARK 500  4 LYS A 764      -68.93    -92.91                                   
REMARK 500  4 LYS A 768      -78.40    -50.55                                   
REMARK 500  4 SER A 769      108.30    175.30                                   
REMARK 500  5 ASP A 667       75.57   -113.70                                   
REMARK 500  5 ASN A 677       77.79    -69.62                                   
REMARK 500  5 GLU A 733       35.94    -99.33                                   
REMARK 500  5 LYS A 735      130.18   -171.16                                   
REMARK 500  5 LEU A 759       74.91   -110.93                                   
REMARK 500  5 LYS A 764      -62.10   -106.43                                   
REMARK 500  5 LYS A 768      -73.48    -54.67                                   
REMARK 500  5 SER A 769      105.38   -178.78                                   
REMARK 500  6 SER A 663      -72.74   -116.02                                   
REMARK 500  6 ARG A 664       87.95   -157.63                                   
REMARK 500  6 ASP A 667       68.63   -113.85                                   
REMARK 500  6 THR A 732     -159.56   -129.25                                   
REMARK 500  6 GLU A 733       40.79   -100.33                                   
REMARK 500  6 ALA A 734      -49.44   -158.47                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     195 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 18183   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2LNW   RELATED DB: PDB                                   
DBREF  2LNX A  659   771  UNP    P52735   VAV2_HUMAN     659    771             
SEQADV 2LNX MET A  650  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX GLY A  651  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX HIS A  652  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX HIS A  653  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX HIS A  654  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX HIS A  655  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX HIS A  656  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX HIS A  657  UNP  P52735              EXPRESSION TAG                 
SEQADV 2LNX MET A  658  UNP  P52735              EXPRESSION TAG                 
SEQRES   1 A  122  MET GLY HIS HIS HIS HIS HIS HIS MET SER ARG PRO PRO          
SEQRES   2 A  122  SER ARG GLU ILE ASP TYR THR ALA TYR PRO TRP PHE ALA          
SEQRES   3 A  122  GLY ASN MET GLU ARG GLN GLN THR ASP ASN LEU LEU LYS          
SEQRES   4 A  122  SER HIS ALA SER GLY THR TYR LEU ILE ARG GLU ARG PRO          
SEQRES   5 A  122  ALA GLU ALA GLU ARG PHE ALA ILE SER ILE LYS PHE ASN          
SEQRES   6 A  122  ASP GLU VAL LYS HIS ILE LYS VAL VAL GLU LYS ASP ASN          
SEQRES   7 A  122  TRP ILE HIS ILE THR GLU ALA LYS LYS PHE ASP SER LEU          
SEQRES   8 A  122  LEU GLU LEU VAL GLU TYR TYR GLN CYS HIS SER LEU LYS          
SEQRES   9 A  122  GLU SER PHE LYS GLN LEU ASP THR THR LEU LYS TYR PRO          
SEQRES  10 A  122  TYR LYS SER ARG GLU                                          
HELIX    1   1 ASP A  667  TYR A  671  5                                   5    
HELIX    2   2 GLU A  679  LEU A  687  1                                   9    
HELIX    3   3 SER A  739  HIS A  750  1                                  12    
HELIX    4   4 SER A  751  SER A  755  5                                   5    
SHEET    1   A 4 PHE A 674  GLY A 676  0                                        
SHEET    2   A 4 THR A 694  GLU A 699  1  O  ILE A 697   N  ALA A 675           
SHEET    3   A 4 PHE A 707  PHE A 713 -1  O  SER A 710   N  LEU A 696           
SHEET    4   A 4 GLU A 716  LYS A 721 -1  O  GLU A 716   N  PHE A 713           
SHEET    1   B 2 VAL A 723  LYS A 725  0                                        
SHEET    2   B 2 TRP A 728  HIS A 730 -1  O  HIS A 730   N  VAL A 723           
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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