GenomeNet

Database: PDB
Entry: 2JO1
LinkDB: 2JO1
Original site: 2JO1 
HEADER    HYDROLASE REGULATOR                     18-FEB-07   2JO1              
TITLE     STRUCTURE OF THE NA,K-ATPASE REGULATORY PROTEIN FXYD1 IN              
TITLE    2 MICELLES                                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PHOSPHOLEMMAN;                                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: FXYD DOMAIN-CONTAINING ION TRANSPORT REGULATOR 1;           
COMPND   5 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: FXYD1, PLM;                                                    
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PBCL173                                    
KEYWDS    FXYD1, NA,K-ATPASE, MICELLE, HYDROLASE REGULATOR                      
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    P.TERIETE,C.M.FRANZIN,J.CHOI,F.M.MARASSI                              
REVDAT   2   24-FEB-09 2JO1    1       VERSN                                    
REVDAT   1   31-JUL-07 2JO1    0                                                
JRNL        AUTH   P.TERIETE,C.M.FRANZIN,J.CHOI,F.M.MARASSI                     
JRNL        TITL   STRUCTURE OF THE NA,K-ATPASE REGULATORY PROTEIN              
JRNL        TITL 2 FXYD1 IN MICELLES                                            
JRNL        REF    BIOCHEMISTRY                  V.  46  6774 2007              
JRNL        REFN                   ISSN 0006-2960                               
JRNL        PMID   17511473                                                     
JRNL        DOI    10.1021/BI700391B                                            
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : XPLOR-NIH                                            
REMARK   3   AUTHORS     : C.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.M.CLORE     
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2JO1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-APR-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB100073.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 313.15                             
REMARK 210  PH                             : 5.0                                
REMARK 210  IONIC STRENGTH                 : 0.560                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM [U-100% 15N] PROTEIN, 20      
REMARK 210                                   MM SODIUM CITRATE AT PH 5, 10      
REMARK 210                                   MM DTT, 500 MM SDS, 90% H2O/       
REMARK 210                                   10% D2O                            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D 1H-15N NOESY, 2D 1H-15N         
REMARK 210                                   HSQC                               
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ, 500 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : SPARKY 3.11                        
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
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 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 TYR A  13       32.13    -84.29                                   
REMARK 500  1 PRO A  53      151.06    -36.76                                   
REMARK 500  1 GLU A  55       -6.56     68.17                                   
REMARK 500  1 GLU A  56        4.19     56.83                                   
REMARK 500  1 THR A  59       41.12    -73.57                                   
REMARK 500  1 ARG A  70     -126.40     55.26                                   
REMARK 500  2 TYR A  13       30.96    -92.93                                   
REMARK 500  2 GLU A  57      168.33     53.94                                   
REMARK 500  3 TYR A  13       32.57    -73.67                                   
REMARK 500  3 GLU A  55      -94.50    -54.57                                   
REMARK 500  3 ARG A  71     -125.55    -90.91                                   
REMARK 500  4 TYR A  13       32.75    -88.96                                   
REMARK 500  4 ARG A  49       26.53     40.49                                   
REMARK 500  4 ASP A  54       91.21   -164.12                                   
REMARK 500  4 GLU A  55     -114.06     41.49                                   
REMARK 500  5 ASP A  12      -14.13   -161.40                                   
REMARK 500  5 TYR A  13       32.03    -83.54                                   
REMARK 500  5 PRO A  53      165.82    -39.43                                   
REMARK 500  5 GLU A  55     -153.45   -121.29                                   
REMARK 500  6 TYR A  13       29.31    -78.61                                   
REMARK 500  6 ASP A  54       25.62     47.15                                   
REMARK 500  6 THR A  59      179.99    -49.40                                   
REMARK 500  7 PRO A   8       34.75    -67.18                                   
REMARK 500  7 ASP A  12      -39.64   -146.10                                   
REMARK 500  7 TYR A  13       32.31    -82.37                                   
REMARK 500  7 ARG A  49     -100.10   -166.59                                   
REMARK 500  7 PRO A  53      155.23    -38.54                                   
REMARK 500  7 GLU A  55      -84.56    -79.46                                   
REMARK 500  8 ASP A  12       17.70   -154.72                                   
REMARK 500  8 TYR A  13       29.35    -79.62                                   
REMARK 500  8 ARG A  49     -127.45   -152.95                                   
REMARK 500  8 PRO A  53      140.15    -39.00                                   
REMARK 500  8 ARG A  70     -104.37     51.04                                   
REMARK 500  8 ARG A  71      -74.18    -81.34                                   
REMARK 500  9 TYR A  13       29.30    -79.19                                   
REMARK 500  9 PRO A  53      141.35    -38.82                                   
REMARK 500  9 THR A  59       54.72   -148.55                                   
REMARK 500  9 ARG A  70       58.79     16.33                                   
REMARK 500 10 TYR A  13       30.26    -82.21                                   
REMARK 500 10 ASN A  45       15.50    141.62                                   
REMARK 500 10 ARG A  49      160.54     79.65                                   
REMARK 500 10 PRO A  53     -178.29    -45.90                                   
REMARK 500 10 ASP A  54      142.45    -37.70                                   
REMARK 500 10 GLU A  56     -161.55   -102.91                                   
REMARK 500 11 ASP A  12       -8.17   -156.42                                   
REMARK 500 11 TYR A  13       30.38    -79.57                                   
REMARK 500 11 PRO A  53      162.14    -43.59                                   
REMARK 500 11 GLU A  55      123.99     63.04                                   
REMARK 500 11 ARG A  70       39.65    -77.95                                   
REMARK 500 11 ARG A  71      -56.91   -138.89                                   
REMARK 500 12 TYR A  13       31.00    -80.43                                   
REMARK 500 12 ASN A  45       14.19    158.75                                   
REMARK 500 12 PRO A  53      174.38    -42.98                                   
REMARK 500 12 ASP A  54     -172.05     56.74                                   
REMARK 500 12 GLU A  57       58.24   -141.42                                   
REMARK 500 12 THR A  59     -171.93    -51.66                                   
REMARK 500 12 ARG A  70      -77.90     69.48                                   
REMARK 500 13 ASP A  54     -162.38   -171.67                                   
REMARK 500 13 GLU A  55     -159.96    -94.47                                   
REMARK 500 13 GLU A  56       72.19     57.84                                   
REMARK 500 13 ARG A  70      -85.31     61.06                                   
REMARK 500 14 ASP A  12       -3.90   -142.23                                   
REMARK 500 14 TYR A  13       32.45    -76.74                                   
REMARK 500 14 ARG A  49       77.43   -112.45                                   
REMARK 500 14 GLU A  57     -116.32     49.08                                   
REMARK 500 14 ARG A  70     -168.44     61.38                                   
REMARK 500 15 SER A   2      -52.78   -179.51                                   
REMARK 500 15 ASP A  12      -18.88    -48.25                                   
REMARK 500 15 TYR A  13       30.67    -76.74                                   
REMARK 500 15 ARG A  49       63.48   -172.06                                   
REMARK 500 15 THR A  50      156.51     56.96                                   
REMARK 500 15 PRO A  53      175.70    -44.35                                   
REMARK 500 15 ASP A  54       84.38     66.18                                   
REMARK 500 15 THR A  59        6.82    -69.73                                   
REMARK 500 16 TYR A  13       30.39    -77.89                                   
REMARK 500 16 THR A  59       -7.52    -56.71                                   
REMARK 500 16 ARG A  70       48.32     30.90                                   
REMARK 500 16 ARG A  71      -70.82   -144.29                                   
REMARK 500 17 GLN A  47       -7.30    -53.56                                   
REMARK 500 17 PRO A  53      161.24    -39.09                                   
REMARK 500 17 GLU A  55      -74.17   -102.78                                   
REMARK 500 17 GLU A  56      -76.43    -67.67                                   
REMARK 500 17 GLU A  57       97.76     54.45                                   
REMARK 500 17 ARG A  70      -79.67     69.30                                   
REMARK 500 18 ASP A  12      -32.08    158.24                                   
REMARK 500 18 TYR A  13       30.89    -78.15                                   
REMARK 500 18 ASN A  45       -5.58    155.62                                   
REMARK 500 18 ARG A  49      -95.21   -150.31                                   
REMARK 500 18 THR A  50       -9.97   -169.05                                   
REMARK 500 18 PRO A  53     -176.59    -47.27                                   
REMARK 500 18 ASP A  54      -81.04     58.60                                   
REMARK 500 18 GLU A  56       19.20     42.12                                   
REMARK 500 19 TYR A  13       34.31    -73.37                                   
REMARK 500 19 ARG A  49     -121.07   -141.78                                   
REMARK 500 19 PRO A  53      159.39    -39.29                                   
REMARK 500 19 GLU A  55      -59.10   -121.66                                   
REMARK 500 19 GLU A  56      -81.77    -69.29                                   
REMARK 500 19 GLU A  57     -103.51   -168.16                                   
REMARK 500 19 ARG A  70       92.58     31.92                                   
REMARK 500 20 TYR A  13       31.12    -86.00                                   
REMARK 500 20 ASN A  45      140.52    150.54                                   
REMARK 500 20 PRO A  53      146.50    -39.07                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2JO1 A    1    72  UNP    O00168   PLM_HUMAN       21     92             
SEQRES   1 A   72  GLU SER PRO LYS GLU HIS ASP PRO PHE THR TYR ASP TYR          
SEQRES   2 A   72  GLN SER LEU GLN ILE GLY GLY LEU VAL ILE ALA GLY ILE          
SEQRES   3 A   72  LEU PHE ILE LEU GLY ILE LEU ILE VAL LEU SER ARG ARG          
SEQRES   4 A   72  CYS ARG CYS LYS PHE ASN GLN GLN GLN ARG THR GLY GLU          
SEQRES   5 A   72  PRO ASP GLU GLU GLU GLY THR PHE ARG SER SER ILE ARG          
SEQRES   6 A   72  ARG LEU SER THR ARG ARG ARG                                  
HELIX    1   1 SER A    2  ASP A    7  1                                   6    
HELIX    2   2 PRO A    8  TYR A   11  5                                   4    
HELIX    3   3 TYR A   13  ASN A   45  1                                  33    
HELIX    4   4 THR A   59  ARG A   70  1                                  12    
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