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Database: PDB
Entry: 1DUJ
LinkDB: 1DUJ
Original site: 1DUJ 
HEADER    CELL CYCLE                              17-JAN-00   1DUJ              
TITLE     SOLUTION STRUCTURE OF THE SPINDLE ASSEMBLY CHECKPOINT                 
TITLE    2 PROTEIN HUMAN MAD2                                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SPINDLE ASSEMBLY CHECKPOINT PROTEIN;                       
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: FULL PROTEIN WITHOUT BOTH N- AND C-TERMINAL 10             
COMPND   5 RESIDUES;                                                            
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 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PQE-30                                    
KEYWDS    MAD2, SPINDLE ASSEMBLY CHECKPOINT, CELL CYCLE                         
EXPDTA    SOLUTION NMR                                                          
AUTHOR    X.LUO,G.FANG,M.COLDIRON,Y.LIN,H.YU                                    
REVDAT   3   24-FEB-09 1DUJ    1       VERSN                                    
REVDAT   2   01-APR-03 1DUJ    1       JRNL                                     
REVDAT   1   08-MAR-00 1DUJ    0                                                
JRNL        AUTH   X.LUO,G.FANG,M.COLDIRON,Y.LIN,H.YU,M.W.KIRSCHNER,            
JRNL        AUTH 2 G.WAGNER                                                     
JRNL        TITL   STRUCTURE OF THE MAD2 SPINDLE ASSEMBLY CHECKPOINT            
JRNL        TITL 2 PROTEIN AND ITS INTERACTION WITH CDC20.                      
JRNL        REF    NAT.STRUCT.BIOL.              V.   7   224 2000              
JRNL        REFN                   ISSN 1072-8368                               
JRNL        PMID   10700282                                                     
JRNL        DOI    10.1038/73338                                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL       
REMARK   3  OF 3111 RESTRAINTS, 2807 ARE NOE-DERIVED DISTANCE CONSTRAINTS,      
REMARK   3  214 DIHEDRAL ANGLE RESTRAINTS,90 DISTANCE RESTRAINTS FROM           
REMARK   3  HYDROGEN BONDS.                                                     
REMARK   4                                                                      
REMARK   4 1DUJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-FEB-00.                  
REMARK 100 THE RCSB ID CODE IS RCSB010381.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303; 303; 303; 303; 303            
REMARK 210  PH                             : 6.8; 6.8; 6.8; 6.8; 6.8            
REMARK 210  IONIC STRENGTH                 : 300MM KCL; 300MM KCL; 300MM        
REMARK 210                                   KCL; 300MM KCL; 300MM KCL          
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT; AMBIENT;         
REMARK 210                                   AMBIENT; AMBIENT                   
REMARK 210  SAMPLE CONTENTS                : 1.2MM MAD2 PROTEIN U-15N,13C,      
REMARK 210                                   2H; 50MM SODIUM PHOSPHATE (PH      
REMARK 210                                   6.8), 300MM KCL, 5MM DTT,          
REMARK 210                                   0.04% NAN3; 90% H2O, 10% D2O;      
REMARK 210                                   1.4MM MAD2 PROTEIN U-15N,13C;      
REMARK 210                                   U-60% 2H; 50MM SODIUM              
REMARK 210                                   PHOSPHATE (PH 6.8), 300MM KCL,     
REMARK 210                                   5MM DTT, 0.04% NAN3; 90% H2O,      
REMARK 210                                   10% D2O; 1.5MM MAD2 PROTEIN U-     
REMARK 210                                   15N; 50MM SODIUM PHOSPHATE (PH     
REMARK 210                                   6.8), 300MM KCL, 5MM DTT,          
REMARK 210                                   0.04% NAN3; 90% H2O, 10% D2O;      
REMARK 210                                   1.6MM MAD2 PROTEIN U-10% 13C;      
REMARK 210                                   50MM SODIUM PHOSPHATE (PH 6.8)     
REMARK 210                                   , 300MM KCL, 5MM DTT, 0.04%        
REMARK 210                                   NAN3; 100% D2O; 1.7MM MAD2         
REMARK 210                                   PROTEIN U-15N,13C; 50MM SODIUM     
REMARK 210                                   PHOSPHATE (PH 6.8), 300MM KCL,     
REMARK 210                                   5MM DTT, 0.04% NAN3; 100% D2O      
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, 3D_        
REMARK 210                                   13C-SEPARATED_NOESY, 3D_HCCH_      
REMARK 210                                   TOCSY, 3D_15N-SEPARATED_TOCSY,     
REMARK 210                                   3D_H(CC)(CO)NH, 3D_(H)C(C)(CO)     
REMARK 210                                   NH                                 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR 3.1                         
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL                               
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR      
REMARK 210  SPECTROSCOPY.                                                       
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    ARG A  16     -169.29   -105.30                                   
REMARK 500    TYR A  40       58.53   -177.40                                   
REMARK 500    PRO A  41     -158.52    -85.27                                   
REMARK 500    PHE A  45      179.49    -47.94                                   
REMARK 500    TYR A  51       20.33     49.21                                   
REMARK 500    ASP A  60      102.93    -54.57                                   
REMARK 500    ASP A  76       71.68   -172.25                                   
REMARK 500    LEU A  78       32.23    164.38                                   
REMARK 500    LYS A  80       46.45    173.88                                   
REMARK 500    CYS A  81      -74.06   -161.17                                   
REMARK 500    SER A  82     -126.67   -102.81                                   
REMARK 500    VAL A  83      113.74     59.38                                   
REMARK 500    GLN A  84       53.31    174.49                                   
REMARK 500    GLU A  94       44.56   -155.72                                   
REMARK 500    SER A  95      -69.51   -162.61                                   
REMARK 500    GLU A  97     -136.40     56.45                                   
REMARK 500    VAL A  98      156.92    -37.49                                   
REMARK 500    LEU A  99      -46.13   -154.22                                   
REMARK 500    ALA A 112      175.98    169.07                                   
REMARK 500    LYS A 113      -38.34   -145.72                                   
REMARK 500    SER A 116      -81.90    -64.50                                   
REMARK 500    ALA A 117      140.75     65.71                                   
REMARK 500    GLU A 120      -26.35    174.10                                   
REMARK 500    LYS A 121      110.58     70.78                                   
REMARK 500    LEU A 146       79.42     39.22                                   
REMARK 500    GLU A 148      -57.45   -179.87                                   
REMARK 500    VAL A 149     -173.71     43.39                                   
REMARK 500    ASP A 162       23.19   -154.51                                   
REMARK 500    VAL A 164       51.43   -113.34                                   
REMARK 500    VAL A 165      109.89    -45.08                                   
REMARK 500    PRO A 166     -167.52    -74.50                                   
REMARK 500    LYS A 168      -27.60    -38.26                                   
REMARK 500    GLU A 170       34.04    171.85                                   
REMARK 500    GLU A 171       -6.88     75.09                                   
REMARK 500    SER A 172       45.00    161.41                                   
REMARK 500    GLN A 175       86.01   -150.18                                   
REMARK 500    ASN A 179       31.63   -179.26                                   
REMARK 500    GLU A 181       57.13    -67.86                                   
REMARK 500    GLU A 182      -31.99    178.86                                   
REMARK 500    ARG A 184     -134.21     44.73                                   
REMARK 500    LEU A 185     -166.82     44.37                                   
REMARK 500    ARG A 186      -34.74    179.51                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500    ARG A  16         0.30    SIDE_CHAIN                              
REMARK 500    ARG A  37         0.16    SIDE_CHAIN                              
REMARK 500    ARG A  47         0.31    SIDE_CHAIN                              
REMARK 500    ARG A 101         0.31    SIDE_CHAIN                              
REMARK 500    ARG A 119         0.26    SIDE_CHAIN                              
REMARK 500    ARG A 131         0.25    SIDE_CHAIN                              
REMARK 500    ARG A 135         0.23    SIDE_CHAIN                              
REMARK 500    ARG A 184         0.26    SIDE_CHAIN                              
REMARK 500    ARG A 186         0.26    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1DUJ A   13   197  UNP    Q13257   MD2L1_HUMAN     11    195             
SEQADV 1DUJ GLY A   11  UNP  Q13257              EXPRESSION ARTIFACT            
SEQADV 1DUJ SER A   12  UNP  Q13257              EXPRESSION ARTIFACT            
SEQRES   1 A  187  GLY SER ILE THR LEU ARG GLY SER ALA GLU ILE VAL ALA          
SEQRES   2 A  187  GLU PHE PHE SER PHE GLY ILE ASN SER ILE LEU TYR GLN          
SEQRES   3 A  187  ARG GLY ILE TYR PRO SER GLU THR PHE THR ARG VAL GLN          
SEQRES   4 A  187  LYS TYR GLY LEU THR LEU LEU VAL THR THR ASP LEU GLU          
SEQRES   5 A  187  LEU ILE LYS TYR LEU ASN ASN VAL VAL GLU GLN LEU LYS          
SEQRES   6 A  187  ASP TRP LEU TYR LYS CYS SER VAL GLN LYS LEU VAL VAL          
SEQRES   7 A  187  VAL ILE SER ASN ILE GLU SER GLY GLU VAL LEU GLU ARG          
SEQRES   8 A  187  TRP GLN PHE ASP ILE GLU CYS ASP LYS THR ALA LYS ASP          
SEQRES   9 A  187  ASP SER ALA PRO ARG GLU LYS SER GLN LYS ALA ILE GLN          
SEQRES  10 A  187  ASP GLU ILE ARG SER VAL ILE ARG GLN ILE THR ALA THR          
SEQRES  11 A  187  VAL THR PHE LEU PRO LEU LEU GLU VAL SER CYS SER PHE          
SEQRES  12 A  187  ASP LEU LEU ILE TYR THR ASP LYS ASP LEU VAL VAL PRO          
SEQRES  13 A  187  GLU LYS TRP GLU GLU SER GLY PRO GLN PHE ILE THR ASN          
SEQRES  14 A  187  SER GLU GLU VAL ARG LEU ARG SER PHE THR THR THR ILE          
SEQRES  15 A  187  HIS LYS VAL ASN SER                                          
HELIX    1   1 SER A   18  ARG A   37  1                                  20    
HELIX    2   2 ASP A   60  ASP A   76  1                                  17    
HELIX    3   3 GLN A  123  LEU A  144  1                                  22    
SHEET    1   A 6 SER A  12  THR A  14  0                                        
SHEET    2   A 6 GLU A  97  ASP A 105  1  O  GLN A 103   N  ILE A  13           
SHEET    3   A 6 LYS A  85  ASN A  92 -1  O  LEU A  86   N  PHE A 104           
SHEET    4   A 6 CYS A 151  ASP A 160 -1  N  SER A 152   O  SER A  91           
SHEET    5   A 6 SER A 187  VAL A 195  1  O  SER A 187   N  PHE A 153           
SHEET    6   A 6 GLN A 175  ILE A 177 -1  O  PHE A 176   N  PHE A 188           
SHEET    1   B 2 THR A  46  LYS A  50  0                                        
SHEET    2   B 2 LEU A  53  VAL A  57 -1  N  LEU A  53   O  LYS A  50           
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                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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