GenomeNet

Database: PDB
Entry: 2KG5
LinkDB: 2KG5
Original site: 2KG5 
HEADER    SIGNALING PROTEIN                       05-MAR-09   2KG5              
TITLE     NMR SOLUTION STRUCTURE OF ARAP3-SAM                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ARF-GAP, RHO-GAP DOMAIN, ANK REPEAT AND PH                 
COMPND   3 DOMAIN-CONTAINING PROTEIN 3;                                         
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: SAM DOMAIN, RESIDUES 1-80;                                 
COMPND   6 SYNONYM: CENTAURIN-DELTA-3, CNT-D3;                                  
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: ARAP3, CENTD3;                                                 
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET15B                                     
KEYWDS    SAM DOMAIN, HELIX BUNDLE, CELL MEMBRANE, CELL PROJECTION,             
KEYWDS   2 CYTOPLASM, CYTOSKELETON, GTPASE ACTIVATION, MEMBRANE,                
KEYWDS   3 METAL-BINDING, PHOSPHOPROTEIN, POLYMORPHISM, ZINC, ZINC-             
KEYWDS   4 FINGER, SIGNALING PROTEIN                                            
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    M.LEONE,M.PELLECCHIA                                                  
REVDAT   1   17-NOV-09 2KG5    0                                                
JRNL        AUTH   M.LEONE,J.CELLITTI,M.PELLECCHIA                              
JRNL        TITL   THE SAM DOMAIN OF THE LIPID PHOSPHATASE SHIP2                
JRNL        TITL 2 ADOPTS A COMMON MODEL TO INTERACT WITH ARAP3-SAM             
JRNL        TITL 3 AND EPHA2-SAM.                                               
JRNL        REF    BMC STRUCT.BIOL.              V.   9    59 2009              
JRNL        REFN                   ESSN 1472-6807                               
JRNL        PMID   19765305                                                     
JRNL        DOI    10.1186/1472-6807-9-59                                       
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.1                                            
REMARK   3   AUTHORS     : GUNTERT, MUMENTHALER AND WUTHRICH                    
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES WERE GENERATED BY          
REMARK   3  ONLY USING CYANA                                                    
REMARK   4                                                                      
REMARK   4 2KG5 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAR-09.                  
REMARK 100 THE RCSB ID CODE IS RCSB101078.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.7                                
REMARK 210  IONIC STRENGTH                 : NULL                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM PROTEIN, 2.7 MM               
REMARK 210                                   POTASSIUM CHLORIDE, 137 MM         
REMARK 210                                   SODIUM CHLORIDE, 11.9 MM           
REMARK 210                                   PHOSPHATES, 0.3% MM SODIUM         
REMARK 210                                   AZIDE, 100% D2O; 1 MM [U-100%      
REMARK 210                                   15N] PROTEIN, 2.7 MM POTASSIUM     
REMARK 210                                   CHLORIDE, 137 MM SODIUM            
REMARK 210                                   CHLORIDE, 11.9 MM PHOSPHATES,      
REMARK 210                                   0.3% MM SODIUM AZIDE, 95% H2O/     
REMARK 210                                   5% D2O; 1 MM [U-100% 13C; U-       
REMARK 210                                   100% 15N] PROTEIN, 2.7 MM          
REMARK 210                                   POTASSIUM CHLORIDE, 137 MM         
REMARK 210                                   SODIUM CHLORIDE, 11.9 MM           
REMARK 210                                   PHOSPHATES, 0.3% MM SODIUM         
REMARK 210                                   AZIDE, 95% H2O/5% D2O              
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H NOESY; 3D 1H-15N          
REMARK 210                                   NOESY; 3D 1H-13C NOESY             
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XEASY, CYANA 2.1, TOPSPIN 2.1      
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
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 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     1                                                      
REMARK 465     GLY A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     SER A     4                                                      
REMARK 465     HIS A     5                                                      
REMARK 465     HIS A     6                                                      
REMARK 465     HIS A     7                                                      
REMARK 465     HIS A     8                                                      
REMARK 465     HIS A     9                                                      
REMARK 465     HIS A    10                                                      
REMARK 465     SER A    11                                                      
REMARK 465     SER A    12                                                      
REMARK 465     GLY A    13                                                      
REMARK 465     LEU A    14                                                      
REMARK 465     VAL A    15                                                      
REMARK 465     PRO A    16                                                      
REMARK 465     ARG A    17                                                      
REMARK 465     GLY A    18                                                      
REMARK 465     SER A    19                                                      
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  22     -174.35     55.30                                   
REMARK 500  1 ASP A  26       45.67    -91.70                                   
REMARK 500  1 GLU A  88       85.81     56.26                                   
REMARK 500  1 LEU A  91       82.77     52.47                                   
REMARK 500  1 LYS A  94       57.89   -150.20                                   
REMARK 500  1 SER A  97      167.71     62.57                                   
REMARK 500  1 ALA A  98      -50.22   -146.73                                   
REMARK 500  1 MET A  99      -55.45   -162.82                                   
REMARK 500  2 ASP A  26       47.00    -90.90                                   
REMARK 500  2 ARG A  57      104.23    -50.23                                   
REMARK 500  2 SER A  70       25.42   -159.63                                   
REMARK 500  2 THR A  72      -68.97     72.58                                   
REMARK 500  2 SER A  95       97.05     61.09                                   
REMARK 500  3 PRO A  24     -171.27    -69.80                                   
REMARK 500  3 ARG A  57      104.03    -50.44                                   
REMARK 500  3 THR A  84      153.49    -49.28                                   
REMARK 500  3 GLU A  88      -69.07   -177.41                                   
REMARK 500  3 SER A  90      117.62   -175.03                                   
REMARK 500  3 ASP A  92       72.55     55.91                                   
REMARK 500  3 SER A  95      -68.92    -97.14                                   
REMARK 500  3 ASP A  96     -166.57     46.59                                   
REMARK 500  3 SER A  97      -61.73   -157.32                                   
REMARK 500  4 ALA A  22     -177.23     58.19                                   
REMARK 500  4 PRO A  24     -172.72    -69.80                                   
REMARK 500  4 ASP A  26       49.51    -93.49                                   
REMARK 500  4 ARG A  57      103.88    -50.45                                   
REMARK 500  4 GLU A  88      141.62   -178.22                                   
REMARK 500  4 LEU A  91      -74.89   -131.11                                   
REMARK 500  4 ASP A  96      115.29   -176.22                                   
REMARK 500  4 SER A  97      130.67   -176.66                                   
REMARK 500  4 ALA A  98      115.83   -174.49                                   
REMARK 500  5 ARG A  57      107.94    -50.37                                   
REMARK 500  5 THR A  86      -46.01   -141.07                                   
REMARK 500  5 GLU A  88      129.63   -177.36                                   
REMARK 500  5 LEU A  91      138.73   -179.20                                   
REMARK 500  5 ASP A  92       73.29     58.49                                   
REMARK 500  5 SER A  95      -73.80   -100.90                                   
REMARK 500  5 ALA A  98      103.96   -177.81                                   
REMARK 500  5 MET A  99      -51.19   -154.43                                   
REMARK 500  6 ALA A  22      176.50     58.94                                   
REMARK 500  6 ASP A  26       48.74    -89.74                                   
REMARK 500  6 ARG A  57      104.17    -50.34                                   
REMARK 500  6 SER A  90       43.92   -172.40                                   
REMARK 500  6 LEU A  91      125.82   -174.03                                   
REMARK 500  6 LYS A  94     -177.24     58.23                                   
REMARK 500  6 ASP A  96       57.18   -164.02                                   
REMARK 500  6 ALA A  98      176.43     63.08                                   
REMARK 500  7 ALA A  22     -176.94     57.01                                   
REMARK 500  7 ASP A  26       46.34    -91.23                                   
REMARK 500  7 ARG A  57      103.99    -50.25                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     166 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2KG5 A   21   100  UNP    Q8WWN8   ARAP3_HUMAN      1     80             
SEQADV 2KG5 MET A    1  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 GLY A    2  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 SER A    3  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 SER A    4  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 HIS A    5  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 HIS A    6  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 HIS A    7  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 HIS A    8  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 HIS A    9  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 HIS A   10  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 SER A   11  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 SER A   12  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 GLY A   13  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 LEU A   14  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 VAL A   15  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 PRO A   16  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 ARG A   17  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 GLY A   18  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 SER A   19  UNP  Q8WWN8              EXPRESSION TAG                 
SEQADV 2KG5 HIS A   20  UNP  Q8WWN8              EXPRESSION TAG                 
SEQRES   1 A  100  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY          
SEQRES   2 A  100  LEU VAL PRO ARG GLY SER HIS MET ALA ALA PRO GLN ASP          
SEQRES   3 A  100  LEU ASP ILE ALA VAL TRP LEU ALA THR VAL HIS LEU GLU          
SEQRES   4 A  100  GLN TYR ALA ASP THR PHE ARG ARG HIS GLY LEU ALA THR          
SEQRES   5 A  100  ALA GLY ALA ALA ARG GLY LEU GLY HIS GLU GLU LEU LYS          
SEQRES   6 A  100  GLN LEU GLY ILE SER ALA THR GLY HIS ARG LYS ARG ILE          
SEQRES   7 A  100  LEU ARG LEU LEU GLN THR GLY THR GLU GLU GLY SER LEU          
SEQRES   8 A  100  ASP PRO LYS SER ASP SER ALA MET GLU                          
HELIX    1   1 ASP A   28  ALA A   34  1                                   7    
HELIX    2   2 THR A   35  HIS A   37  5                                   3    
HELIX    3   3 LEU A   38  GLN A   40  5                                   3    
HELIX    4   4 TYR A   41  HIS A   48  1                                   8    
HELIX    5   5 THR A   52  ARG A   57  1                                   6    
HELIX    6   6 GLY A   60  GLY A   68  1                                   9    
HELIX    7   7 ALA A   71  GLN A   83  1                                  13    
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