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Database: PDB
Entry: 2YSE
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Original site: 2YSE 
HEADER    PROTEIN BINDING                         03-APR-07   2YSE              
TITLE     SOLUTION STRUCTURE OF THE SECOND WW DOMAIN FROM THE HUMAN             
TITLE    2 MEMBRANE-ASSOCIATED GUANYLATE KINASE, WW AND PDZ DOMAIN-             
TITLE    3 CONTAINING PROTEIN 1. MAGI-1                                         
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MEMBRANE-ASSOCIATED GUANYLATE KINASE, WW AND PDZ           
COMPND   3 DOMAIN-CONTAINING PROTEIN 1;                                         
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: WW DOMAIN;                                                 
COMPND   6 SYNONYM: BAI1-ASSOCIATED PROTEIN 1, BAP-1, MEMBRANE-                 
COMPND   7 ASSOCIATED GUANYLATE KINASE INVERTED 1, MAGI-1, ATROPHIN-1-          
COMPND   8 INTERACTING PROTEIN 3, AIP3, WW DOMAIN-CONTAINING PROTEIN            
COMPND   9 3, WWP3, TRINUCLEOTIDE REPEAT-CONTAINING GENE 19 PROTEIN;            
COMPND  10 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: MAGI1;                                                         
SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: P061024-05;                               
SOURCE   8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS                           
KEYWDS    MAGI-1, WW DOMAIN, NMR, STRUCTURAL GENOMICS, NPPSFA,                  
KEYWDS   2 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL                
KEYWDS   3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE,           
KEYWDS   4 RSGI, PROTEIN BINDING                                                
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    S.OHNISHI,M.SATO,S.KOSHIBA,T.HARADA,S.WATANABE,T.KIGAWA,              
AUTHOR   2 S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE           
AUTHOR   3 (RSGI)                                                               
REVDAT   2   24-FEB-09 2YSE    1       VERSN                                    
REVDAT   1   09-OCT-07 2YSE    0                                                
JRNL        AUTH   S.OHNISHI,M.SATO,S.KOSHIBA,T.HARADA,S.WATANABE,              
JRNL        AUTH 2 T.KIGAWA,S.YOKOYAMA                                          
JRNL        TITL   SOLUTION STRUCTURE OF THE SECOND WW DOMAIN FROM              
JRNL        TITL 2 THE HUMAN MEMBRANE-ASSOCIATED GUANYLATE KINASE, WW           
JRNL        TITL 3 AND PDZ DOMAIN-CONTAINING PROTEIN 1. MAGI-1                  
JRNL        REF    TO BE PUBLISHED                                              
JRNL        REFN                                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CYANA 2.0.17                                         
REMARK   3   AUTHORS     : GUNTERT, P.                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2YSE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-JUN-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB027074.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 296                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 120MM                              
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.0MM SAMPLE U-15N, 13C; 20MM      
REMARK 210                                   D-TRIS-HCL; 100MM NACL; 1MM D-     
REMARK 210                                   DTT; 0.02% NAN3; 90% H2O, 10%      
REMARK 210                                   D2O                                
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_13C-SEPARATED_NOESY, 3D_        
REMARK 210                                   15N-SEPARATED_NOESY                
REMARK 210  SPECTROMETER FIELD STRENGTH    : 800 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : XWINNMR 3.5, NMRPIPE               
REMARK 210                                   20030801, NMRVIEW 5.0.4,           
REMARK 210                                   KUJIRA 0.9820, CYANA 2.0.17        
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  : STRUCTURES WITH THE LEAST          
REMARK 210                                   RESTRAINT VIOLATIONS, TARGET       
REMARK 210                                   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 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 LEU A   8       31.16    -84.91                                   
REMARK 500  1 PRO A  15      -90.74    -69.81                                   
REMARK 500  1 ARG A  36       52.23     36.72                                   
REMARK 500  2 SER A   5      -44.68   -133.29                                   
REMARK 500  2 SER A   6       42.10     36.03                                   
REMARK 500  2 PRO A  15      -90.69    -69.76                                   
REMARK 500  2 LEU A  53      108.83    -45.20                                   
REMARK 500  3 LEU A   8      135.33   -170.77                                   
REMARK 500  3 PRO A  15      -90.65    -69.81                                   
REMARK 500  3 LEU A  53       96.79    -50.61                                   
REMARK 500  4 LEU A   8       61.30   -108.32                                   
REMARK 500  4 ASP A   9      167.72    -45.05                                   
REMARK 500  4 PRO A  15      -90.57    -69.82                                   
REMARK 500  5 PRO A  15      -90.55    -69.78                                   
REMARK 500  5 SER A  59      120.83   -174.59                                   
REMARK 500  6 SER A   5      162.24    -41.06                                   
REMARK 500  6 PRO A  15      -90.67    -69.79                                   
REMARK 500  6 PRO A  57        2.20    -69.77                                   
REMARK 500  7 PRO A  15      -90.70    -69.79                                   
REMARK 500  7 LEU A  53      107.61    -50.73                                   
REMARK 500  8 PRO A  15      -90.71    -69.77                                   
REMARK 500  9 SER A   2      121.47   -172.90                                   
REMARK 500  9 SER A   5      141.07    -37.02                                   
REMARK 500  9 PRO A  15      -90.62    -69.74                                   
REMARK 500  9 GLU A  54       41.88    -93.16                                   
REMARK 500 10 PRO A  15      -90.74    -69.79                                   
REMARK 500 10 ILE A  34      -58.52   -122.35                                   
REMARK 500 11 PRO A  15      -90.61    -69.80                                   
REMARK 500 11 SER A  55      128.82    -39.98                                   
REMARK 500 12 SER A   5      156.79    -48.55                                   
REMARK 500 12 LEU A  14      152.61    -49.02                                   
REMARK 500 12 PRO A  15      -90.72    -69.75                                   
REMARK 500 13 SER A   6      108.14    -59.12                                   
REMARK 500 13 ASP A   9      151.75    -45.59                                   
REMARK 500 13 PRO A  15      -90.05    -69.68                                   
REMARK 500 13 SER A  55       97.96    -51.17                                   
REMARK 500 13 PRO A  57        1.57    -69.73                                   
REMARK 500 14 SER A   6       95.89    -61.31                                   
REMARK 500 14 PRO A  15      -90.36    -69.74                                   
REMARK 500 14 ARG A  36       53.93     36.34                                   
REMARK 500 15 LEU A   8       33.43    -87.62                                   
REMARK 500 15 PRO A  15      -90.65    -69.80                                   
REMARK 500 15 PRO A  57       93.29    -69.79                                   
REMARK 500 16 SER A   5       41.35     39.57                                   
REMARK 500 16 PRO A  15      -90.53    -69.69                                   
REMARK 500 16 LEU A  53      113.24    -37.17                                   
REMARK 500 16 SER A  58       34.84     35.28                                   
REMARK 500 17 SER A   5      163.59    -47.26                                   
REMARK 500 17 PRO A  15      -90.59    -69.82                                   
REMARK 500 18 PRO A  15      -90.69    -69.71                                   
REMARK 500 19 SER A   2      134.42    -37.01                                   
REMARK 500 19 SER A   5      151.58    -40.04                                   
REMARK 500 19 LEU A   8       41.68   -103.02                                   
REMARK 500 19 LEU A  14      151.53    -49.58                                   
REMARK 500 19 PRO A  15      -89.85    -69.80                                   
REMARK 500 19 SER A  58      153.81    -41.95                                   
REMARK 500 20 ASP A   9      178.90    -58.69                                   
REMARK 500 20 PRO A  15      -90.79    -69.74                                   
REMARK 500 20 LEU A  53       41.67    -85.92                                   
REMARK 500 20 GLU A  54       41.87     33.34                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: HSO002002394.4   RELATED DB: TARGETDB                    
DBREF  2YSE A    8    54  UNP    Q96QZ7   MAGI1_HUMAN    355    401             
SEQADV 2YSE GLY A    1  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE SER A    2  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE SER A    3  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE GLY A    4  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE SER A    5  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE SER A    6  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE GLY A    7  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE SER A   55  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE GLY A   56  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE PRO A   57  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE SER A   58  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE SER A   59  UNP  Q96QZ7              EXPRESSION TAG                 
SEQADV 2YSE GLY A   60  UNP  Q96QZ7              EXPRESSION TAG                 
SEQRES   1 A   60  GLY SER SER GLY SER SER GLY LEU ASP SER GLU LEU GLU          
SEQRES   2 A   60  LEU PRO ALA GLY TRP GLU LYS ILE GLU ASP PRO VAL TYR          
SEQRES   3 A   60  GLY ILE TYR TYR VAL ASP HIS ILE ASN ARG LYS THR GLN          
SEQRES   4 A   60  TYR GLU ASN PRO VAL LEU GLU ALA LYS ARG LYS LYS GLN          
SEQRES   5 A   60  LEU GLU SER GLY PRO SER SER GLY                              
HELIX    1   1 ASN A   42  GLN A   52  1                                  11    
SHEET    1   A 3 TRP A  18  GLU A  22  0                                        
SHEET    2   A 3 ILE A  28  ASP A  32 -1  O  TYR A  29   N  ILE A  21           
SHEET    3   A 3 LYS A  37  GLN A  39 -1  O  LYS A  37   N  ASP A  32           
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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