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Database: PDB
Entry: 2KAV
LinkDB: 2KAV
Original site: 2KAV 
HEADER    TRANSPORT PROTEIN REGULATOR             15-NOV-08   2KAV              
TITLE     SOLUTION STRUCTURE OF THE HUMAN VOLTAGE-GATED SODIUM CHANNEL, BRAIN   
TITLE    2 ISOFORM (NAV1.2)                                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SODIUM CHANNEL PROTEIN TYPE 2 SUBUNIT ALPHA;               
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: C-TERMINAL EF-HAND DOMAIN;                                 
COMPND   5 SYNONYM: SODIUM CHANNEL PROTEIN TYPE II SUBUNIT ALPHA, VOLTAGE-GATED 
COMPND   6 SODIUM CHANNEL SUBUNIT ALPHA NAV1.2, SODIUM CHANNEL PROTEIN, BRAIN II
COMPND   7 SUBUNIT ALPHA, HBSC II;                                              
COMPND   8 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: NAC2, SCN2A, SCN2A1, SCN2A2;                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28                                      
KEYWDS    VOLTAGE-GATED SODIUM CHANNEL, ALTERNATIVE SPLICING, DISEASE MUTATION, 
KEYWDS   2 EPILEPSY, GLYCOPROTEIN, ION TRANSPORT, IONIC CHANNEL, MEMBRANE,      
KEYWDS   3 POLYMORPHISM, SODIUM, SODIUM CHANNEL, SODIUM TRANSPORT,              
KEYWDS   4 TRANSMEMBRANE, TRANSPORT, UBL CONJUGATION, VOLTAGE-GATED CHANNEL,    
KEYWDS   5 TRANSPORT PROTEIN, TRANSPORT PROTEIN REGULATOR                       
EXPDTA    SOLUTION NMR                                                          
NUMMDL    15                                                                    
AUTHOR    V.Z.MILOUSHEV,J.A.LEVINE,M.A.ARBING,J.F.HUNT,G.S.PITT,A.G.PALMER      
REVDAT   2   23-JUN-10 2KAV    1       JRNL                                     
REVDAT   1   06-JAN-09 2KAV    0                                                
JRNL        AUTH   V.Z.MILOUSHEV,J.A.LEVINE,M.A.ARBING,J.F.HUNT,G.S.PITT,       
JRNL        AUTH 2 A.G.PALMER                                                   
JRNL        TITL   SOLUTION STRUCTURE OF THE NAV1.2 C-TERMINAL EF-HAND DOMAIN.  
JRNL        REF    J.BIOL.CHEM.                  V. 284  6446 2009              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   19129176                                                     
JRNL        DOI    10.1074/JBC.M807401200                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR_NIH 2.18                                      
REMARK   3   AUTHORS     : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE             
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: XPLOR-NIH (2.18) INTERNAL VARIABLES       
REMARK   3  MODULE, REFINE.PY SCRIPT (CDS 2005/05/10)                           
REMARK   4                                                                      
REMARK   4 2KAV COMPLIES WITH FORMAT V. 3.20, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-NOV-08.                  
REMARK 100 THE RCSB ID CODE IS RCSB100892.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 290.5                              
REMARK 210  PH                             : 7.4                                
REMARK 210  IONIC STRENGTH                 : 0.1                                
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.5 MM [U-99% 13C; U-99% 15N]      
REMARK 210                                   PROTEIN, 100 MM [D5-98%] GLYCINE,  
REMARK 210                                   20 MM [D11-98 %] TRIS, 0.1 MM      
REMARK 210                                   [D16-98%] EDTA, 10 % [U-99% 2H]    
REMARK 210                                   D2O, 1 MM [D10-98%] DTT, 0.02 %    
REMARK 210                                   NAN3, 90% H2O/10% D2O; 0.5 MM [U-  
REMARK 210                                   10% 13C; U-99% 15N] PROTEIN, 100   
REMARK 210                                   MM [D5-98%] GLYCINE, 20 MM [D11-   
REMARK 210                                   98 %] TRIS, 0.1 MM [D16-98%]       
REMARK 210                                   EDTA, 10 % [U-99% 2H] D2O, 1 MM    
REMARK 210                                   [D10-98%] DTT, 0.02 % NAN3, 90%    
REMARK 210                                   H2O/10% D2O; 0.5 MM [U-99% 13C; U  
REMARK 210                                   -99% 15N] PROTEIN, 100 MM [D5-98%  
REMARK 210                                   ] GLYCINE, 20 MM [D11-98 %] TRIS,  
REMARK 210                                   0.1 MM [D16-98%] EDTA, 10 % [U-    
REMARK 210                                   99% 2H] D2O, 1 MM [D10-98%] DTT,   
REMARK 210                                   0.02 % NAN3, 15 MG PF1 PHAGE, 90%  
REMARK 210                                   H2O/10% D2O                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D HNCO; 3D HNCA; 3D HN(CO)CA;     
REMARK 210                                   3D HN(CA)CO; 3D HNCACB; 3D         
REMARK 210                                   CBCA(CO)NH; 3D HCCH-TOCSY; 3D      
REMARK 210                                   HBHA(CO)NH; 3D 1H-15N NOESY; 3D    
REMARK 210                                   1H-13C NOESY; 2D 1H-13C HSQC; 3D   
REMARK 210                                   HCACO; 2D IPAP HSQC; 3D QUANT      
REMARK 210                                   HNCO; 3D CCA HNCO                  
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 800 MHZ; 700 MHZ          
REMARK 210  SPECTROMETER MODEL             : DRX; AVANCE                        
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE 2.4, SPARKY 3.110, ARIA    
REMARK 210                                   2.2, CNS 1.2, X-PLOR_NIH 2.18      
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 15                                 
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 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     MET A  1754                                                      
REMARK 465     GLY A  1755                                                      
REMARK 465     SER A  1756                                                      
REMARK 465     SER A  1757                                                      
REMARK 465     HIS A  1758                                                      
REMARK 465     HIS A  1759                                                      
REMARK 465     HIS A  1760                                                      
REMARK 465     HIS A  1761                                                      
REMARK 465     HIS A  1762                                                      
REMARK 465     HIS A  1763                                                      
REMARK 465     SER A  1764                                                      
REMARK 465     SER A  1765                                                      
REMARK 465     GLY A  1766                                                      
REMARK 465     LEU A  1767                                                      
REMARK 465     VAL A  1768                                                      
REMARK 465     PRO A  1769                                                      
REMARK 465     ARG A  1770                                                      
REMARK 465     GLY A  1771                                                      
REMARK 465     SER A  1772                                                      
REMARK 465     HIS A  1773                                                      
REMARK 465     MET A  1774                                                      
REMARK 465     ALA A  1775                                                      
REMARK 465     SER A  1776                                                      
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   O    SER A  1848     N    ASP A  1850              2.14            
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 A1778     -177.76     51.08                                   
REMARK 500  1 PHE A1779      -75.91     60.79                                   
REMARK 500  1 SER A1786       40.34    -86.54                                   
REMARK 500  1 ALA A1787      147.47   -177.17                                   
REMARK 500  1 ASP A1806       87.67   -159.01                                   
REMARK 500  1 PRO A1828       46.76    -88.29                                   
REMARK 500  1 PRO A1834       38.56    -88.77                                   
REMARK 500  1 ASN A1835       69.68    -67.91                                   
REMARK 500  1 ASP A1843      115.47    -37.21                                   
REMARK 500  1 PRO A1845      129.97    -37.40                                   
REMARK 500  1 SER A1848      114.84      3.30                                   
REMARK 500  1 SER A1869       59.87   -154.20                                   
REMARK 500  1 GLU A1871       -4.51     65.56                                   
REMARK 500  1 GLU A1881      148.75     59.17                                   
REMARK 500  2 ASN A1778       16.17   -156.79                                   
REMARK 500  2 SER A1780       84.84    179.27                                   
REMARK 500  2 VAL A1781        0.52    -65.44                                   
REMARK 500  2 ALA A1782       71.45     39.27                                   
REMARK 500  2 GLU A1784      -21.79   -172.88                                   
REMARK 500  2 ALA A1787       71.59   -177.33                                   
REMARK 500  2 PRO A1789      -71.60    -68.57                                   
REMARK 500  2 ASP A1806       86.01   -157.11                                   
REMARK 500  2 PRO A1828       49.49    -89.55                                   
REMARK 500  2 ASP A1843      106.48    -33.08                                   
REMARK 500  2 SER A1848      112.36      2.94                                   
REMARK 500  2 GLU A1868       66.64   -155.73                                   
REMARK 500  2 GLU A1871        9.27     53.18                                   
REMARK 500  2 ILE A1877        1.12    -63.37                                   
REMARK 500  2 MET A1879       27.39     41.74                                   
REMARK 500  3 ASN A1778      112.86     56.71                                   
REMARK 500  3 PHE A1779     -162.06    -59.03                                   
REMARK 500  3 SER A1780       44.11   -161.57                                   
REMARK 500  3 VAL A1781       21.04    -77.00                                   
REMARK 500  3 ASP A1806       82.82   -154.75                                   
REMARK 500  3 PRO A1828       47.33    -88.77                                   
REMARK 500  3 ALA A1841       40.01    -71.77                                   
REMARK 500  3 MET A1842       27.79   -177.21                                   
REMARK 500  3 ASP A1843      122.83    -34.92                                   
REMARK 500  3 SER A1848      112.31      2.94                                   
REMARK 500  3 SER A1869      -35.93   -172.62                                   
REMARK 500  3 ILE A1877      -76.63    -66.00                                   
REMARK 500  3 GLN A1878       -9.34    -50.49                                   
REMARK 500  3 MET A1879       84.42   -159.38                                   
REMARK 500  3 GLU A1881       97.80    -57.14                                   
REMARK 500  4 ASN A1778       38.56   -154.49                                   
REMARK 500  4 PHE A1779       25.50   -170.32                                   
REMARK 500  4 SER A1780     -164.66    -57.59                                   
REMARK 500  4 ALA A1782     -135.74     46.91                                   
REMARK 500  4 GLU A1784     -119.12     55.80                                   
REMARK 500  4 GLU A1785      -85.99     52.79                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     219 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1QG9   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 1BYY   RELATED DB: PDB                                   
DBREF  2KAV A 1777  1882  UNP    Q99250   SCN2A_HUMAN   1777   1882             
SEQADV 2KAV MET A 1754  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV GLY A 1755  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV SER A 1756  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV SER A 1757  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV HIS A 1758  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV HIS A 1759  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV HIS A 1760  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV HIS A 1761  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV HIS A 1762  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV HIS A 1763  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV SER A 1764  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV SER A 1765  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV GLY A 1766  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV LEU A 1767  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV VAL A 1768  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV PRO A 1769  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV ARG A 1770  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV GLY A 1771  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV SER A 1772  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV HIS A 1773  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV MET A 1774  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV ALA A 1775  UNP  Q99250              EXPRESSION TAG                 
SEQADV 2KAV SER A 1776  UNP  Q99250              EXPRESSION TAG                 
SEQRES   1 A  129  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY          
SEQRES   2 A  129  LEU VAL PRO ARG GLY SER HIS MET ALA SER GLU ASN PHE          
SEQRES   3 A  129  SER VAL ALA THR GLU GLU SER ALA GLU PRO LEU SER GLU          
SEQRES   4 A  129  ASP ASP PHE GLU MET PHE TYR GLU VAL TRP GLU LYS PHE          
SEQRES   5 A  129  ASP PRO ASP ALA THR GLN PHE ILE GLU PHE ALA LYS LEU          
SEQRES   6 A  129  SER ASP PHE ALA ASP ALA LEU ASP PRO PRO LEU LEU ILE          
SEQRES   7 A  129  ALA LYS PRO ASN LYS VAL GLN LEU ILE ALA MET ASP LEU          
SEQRES   8 A  129  PRO MET VAL SER GLY ASP ARG ILE HIS CYS LEU ASP ILE          
SEQRES   9 A  129  LEU PHE ALA PHE THR LYS ARG VAL LEU GLY GLU SER GLY          
SEQRES  10 A  129  GLU MET ASP ALA LEU ARG ILE GLN MET GLU GLU ARG              
HELIX    1   1 SER A 1791  ASP A 1806  1                                  16    
HELIX    2   2 GLU A 1814  ALA A 1816  5                                   3    
HELIX    3   3 LYS A 1817  LEU A 1825  1                                   9    
HELIX    4   4 LYS A 1836  MET A 1842  1                                   7    
HELIX    5   5 CYS A 1854  VAL A 1865  1                                  12    
HELIX    6   6 GLU A 1871  MET A 1879  5                                   9    
SHEET    1   A 3 PHE A1812  ILE A1813  0                                        
SHEET    2   A 3 ARG A1851  HIS A1853 -1  O  ILE A1852   N  ILE A1813           
SHEET    3   A 3 MET A1846  VAL A1847 -1  N  VAL A1847   O  ARG A1851           
CISPEP   1 PRO A 1827    PRO A 1828          1        -0.29                     
CISPEP   2 LYS A 1833    PRO A 1834          1         1.69                     
CISPEP   3 PRO A 1827    PRO A 1828          2        -0.64                     
CISPEP   4 LYS A 1833    PRO A 1834          2         0.40                     
CISPEP   5 PRO A 1827    PRO A 1828          3         0.17                     
CISPEP   6 LYS A 1833    PRO A 1834          3         0.32                     
CISPEP   7 PRO A 1827    PRO A 1828          4        -0.24                     
CISPEP   8 LYS A 1833    PRO A 1834          4         0.60                     
CISPEP   9 PRO A 1827    PRO A 1828          5         0.28                     
CISPEP  10 LYS A 1833    PRO A 1834          5        -0.30                     
CISPEP  11 PRO A 1827    PRO A 1828          6        -0.38                     
CISPEP  12 LYS A 1833    PRO A 1834          6         1.20                     
CISPEP  13 PRO A 1827    PRO A 1828          7        -0.02                     
CISPEP  14 LYS A 1833    PRO A 1834          7         1.29                     
CISPEP  15 PRO A 1827    PRO A 1828          8        -0.22                     
CISPEP  16 LYS A 1833    PRO A 1834          8         1.14                     
CISPEP  17 PRO A 1827    PRO A 1828          9        -0.20                     
CISPEP  18 LYS A 1833    PRO A 1834          9         0.67                     
CISPEP  19 PRO A 1827    PRO A 1828         10        -0.24                     
CISPEP  20 LYS A 1833    PRO A 1834         10        -0.51                     
CISPEP  21 PRO A 1827    PRO A 1828         11        -0.16                     
CISPEP  22 LYS A 1833    PRO A 1834         11        -0.22                     
CISPEP  23 PRO A 1827    PRO A 1828         12        -0.93                     
CISPEP  24 LYS A 1833    PRO A 1834         12         1.00                     
CISPEP  25 PRO A 1827    PRO A 1828         13         0.04                     
CISPEP  26 LYS A 1833    PRO A 1834         13         0.88                     
CISPEP  27 PRO A 1827    PRO A 1828         14         0.38                     
CISPEP  28 LYS A 1833    PRO A 1834         14         0.17                     
CISPEP  29 PRO A 1827    PRO A 1828         15         0.33                     
CISPEP  30 LYS A 1833    PRO A 1834         15         1.07                     
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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