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Database: PDB
Entry: 1S2H
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Original site: 1S2H 
HEADER    CELL CYCLE                              08-JAN-04   1S2H              
TITLE     THE MAD2 SPINDLE CHECKPOINT PROTEIN POSSESSES TWO DISTINCT NATIVELY   
TITLE    2 FOLDED STATES                                                        
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN MAD2A;         
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: MAD2-LIKE 1, HSMAD2;                                        
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION: YES                                                        
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: MAD2L1, MAD2;                                                  
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: M15[PREP4];                                
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PQE-30                                    
KEYWDS    MAD2, SPINDLE CHECKPOINT PROTEIN, CELL CYCLE                          
EXPDTA    SOLUTION NMR                                                          
AUTHOR    X.LUO,Z.TANG,G.XIA,K.WASSMANN,T.MATSUMOTO,J.RIZO,H.YU                 
REVDAT   3   27-OCT-21 1S2H    1       REMARK SEQADV                            
REVDAT   2   24-FEB-09 1S2H    1       VERSN                                    
REVDAT   1   30-MAR-04 1S2H    0                                                
JRNL        AUTH   X.LUO,Z.TANG,G.XIA,K.WASSMANN,T.MATSUMOTO,J.RIZO,H.YU        
JRNL        TITL   THE MAD2 SPINDLE CHECKPOINT PROTEIN HAS TWO DISTINCT         
JRNL        TITL 2 NATIVELY FOLDED STATES.                                      
JRNL        REF    NAT.STRUCT.MOL.BIOL.          V.  11   338 2004              
JRNL        REFN                   ISSN 1545-9993                               
JRNL        PMID   15024386                                                     
JRNL        DOI    10.1038/NSMB748                                              
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   X.LUO,G.FANG,M.COLDIRON,Y.LIN,H.YU,M.W.KIRSCHNER,G.WAGNER    
REMARK   1  TITL   STRUCTURE OF THE MAD2 SPINDLE ASSEMBLY CHECKPOINT PROTEIN    
REMARK   1  TITL 2 AND ITS INTERACTION WITH CDC20                               
REMARK   1  REF    NAT.STRUCT.BIOL.              V.   7   224 2000              
REMARK   1  REFN                   ISSN 1072-8368                               
REMARK   1  DOI    10.1038/73338                                                
REMARK   1 REFERENCE 2                                                          
REMARK   1  AUTH   X.LUO,Z.TANG,J.RIZO,H.YU                                     
REMARK   1  TITL   THE MAD2 SPINDLE CHECKPOINT PROTEIN UNDERGOES SIMILAR MAJOR  
REMARK   1  TITL 2 CONFORMATIONAL CHANGES UPON BINDING TO EITHER MAD1 OR CDC20  
REMARK   1  REF    MOL.CELL                      V.   9    59 2002              
REMARK   1  REFN                   ISSN 1097-2765                               
REMARK   1  DOI    10.1016/S1097-2765(01)00435-X                                
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
REMARK   3   AUTHORS     : BRUNGER, A.T.                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES ARE BASED ON A TOTAL OF 2866 RESTRAINTS, 2323 ARE    
REMARK   3  NOE-DERIVED                                                         
REMARK   3  DISTANCE CONSTRAINTS, 339 DIHEDRAL ANGLE RESTRAINTS,204 DISTANCE    
REMARK   3  RESTRAINTS                                                          
REMARK   3  FROM HYDROGEN BONDS.                                                
REMARK   4                                                                      
REMARK   4 1S2H COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-JAN-04.                  
REMARK 100 THE DEPOSITION ID IS D_1000021283.                                   
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 6.8                                
REMARK 210  IONIC STRENGTH                 : 0.3M KCL                           
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 0.8MM MAD2 PROTEIN U-15N,13C,2H;   
REMARK 210                                   0.8MM MAD2 PROTEIN U-15N; 0.8MM    
REMARK 210                                   MAD2 PROTEIN U-15N,13C             
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : HNCA, HN(CO)CA, HN(CA)CB,          
REMARK 210                                   HN(COCA)CB; 3D_15N-SEPARATED_      
REMARK 210                                   NOESY; 3D_13C-SEPARATED_NOESY      
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 500 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE 1.8, VNMR 6.1, NMRVIEW     
REMARK 210                                   4.1.2                              
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 500                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
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: 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 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
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     RES C SSSEQI                                                     
REMARK 465     GLY A     0                                                      
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    GLN A    71     H    TRP A    75              1.55            
REMARK 500   O    VAL A    86     H    TRP A   100              1.57            
REMARK 500   O    ILE A    31     H    ARG A    35              1.58            
REMARK 500   O    ILE A    19     H    PHE A    23              1.60            
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    GLN A   9       50.89   -163.81                                   
REMARK 500    THR A  12      -87.53    -61.00                                   
REMARK 500    PRO A  39      115.78    -39.06                                   
REMARK 500    GLU A  41       -8.89    -55.48                                   
REMARK 500    THR A  42       35.68    -99.17                                   
REMARK 500    TYR A  49        9.85     58.49                                   
REMARK 500    SER A  80      -17.80    150.52                                   
REMARK 500    VAL A  81      135.20     67.74                                   
REMARK 500    GLN A  82      -78.30   -142.42                                   
REMARK 500    ASP A 112       46.35   -176.88                                   
REMARK 500    ARG A 117     -177.67     59.61                                   
REMARK 500    PRO A 143     -158.60    -73.40                                   
REMARK 500    GLU A 146      -36.88   -159.90                                   
REMARK 500    LEU A 161      -76.07   -164.03                                   
REMARK 500    VAL A 163      136.31     65.90                                   
REMARK 500    LYS A 166      128.69     63.39                                   
REMARK 500    GLU A 169      -56.47   -129.36                                   
REMARK 500    SER A 170       98.84    -66.75                                   
REMARK 500    PHE A 174      -46.84   -149.15                                   
REMARK 500    ILE A 175      -72.32   -132.65                                   
REMARK 500    THR A 176      -52.42    174.91                                   
REMARK 500    ASN A 177       73.53   -167.65                                   
REMARK 500    LEU A 183      -61.09    -95.31                                   
REMARK 500    VAL A 203       80.57     42.51                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1DUJ   RELATED DB: PDB                                   
REMARK 900 THE SAME PROTEIN WITH DIFFERENT FOLD.                                
REMARK 900 RELATED ID: 1KLQ   RELATED DB: PDB                                   
REMARK 900 THE SAME PROTEIN COMPLEXED WITH MAD2-BINDING PEPTIDE.                
DBREF  1S2H A    1   205  UNP    Q13257   MD2L1_HUMAN      1    205             
SEQADV 1S2H GLY A    0  UNP  Q13257              CLONING ARTIFACT               
SEQADV 1S2H ALA A  133  UNP  Q13257    ARG   133 ENGINEERED MUTATION            
SEQRES   1 A  206  GLY MET ALA LEU GLN LEU SER ARG GLU GLN GLY ILE THR          
SEQRES   2 A  206  LEU ARG GLY SER ALA GLU ILE VAL ALA GLU PHE PHE SER          
SEQRES   3 A  206  PHE GLY ILE ASN SER ILE LEU TYR GLN ARG GLY ILE TYR          
SEQRES   4 A  206  PRO SER GLU THR PHE THR ARG VAL GLN LYS TYR GLY LEU          
SEQRES   5 A  206  THR LEU LEU VAL THR THR ASP LEU GLU LEU ILE LYS TYR          
SEQRES   6 A  206  LEU ASN ASN VAL VAL GLU GLN LEU LYS ASP TRP LEU TYR          
SEQRES   7 A  206  LYS CYS SER VAL GLN LYS LEU VAL VAL VAL ILE SER ASN          
SEQRES   8 A  206  ILE GLU SER GLY GLU VAL LEU GLU ARG TRP GLN PHE ASP          
SEQRES   9 A  206  ILE GLU CYS ASP LYS THR ALA LYS ASP ASP SER ALA PRO          
SEQRES  10 A  206  ARG GLU LYS SER GLN LYS ALA ILE GLN ASP GLU ILE ARG          
SEQRES  11 A  206  SER VAL ILE ALA GLN ILE THR ALA THR VAL THR PHE LEU          
SEQRES  12 A  206  PRO LEU LEU GLU VAL SER CYS SER PHE ASP LEU LEU ILE          
SEQRES  13 A  206  TYR THR ASP LYS ASP LEU VAL VAL PRO GLU LYS TRP GLU          
SEQRES  14 A  206  GLU SER GLY PRO GLN PHE ILE THR ASN SER GLU GLU VAL          
SEQRES  15 A  206  ARG LEU ARG SER PHE THR THR THR ILE HIS LYS VAL ASN          
SEQRES  16 A  206  SER MET VAL ALA TYR LYS ILE PRO VAL ASN ASP                  
HELIX    1   1 THR A   12  GLY A   36  1                                  25    
HELIX    2   2 PRO A   39  GLU A   41  5                                   3    
HELIX    3   3 ASP A   58  TRP A   75  1                                  18    
HELIX    4   4 SER A  120  LEU A  142  1                                  23    
SHEET    1   A 2 PHE A  43  LYS A  48  0                                        
SHEET    2   A 2 LEU A  51  THR A  56 -1  O  LEU A  53   N  VAL A  46           
SHEET    1   B 5 CYS A 149  TYR A 156  0                                        
SHEET    2   B 5 LYS A  83  ASN A  90 -1  N  SER A  89   O  SER A 150           
SHEET    3   B 5 GLU A  95  CYS A 106 -1  O  TRP A 100   N  VAL A  86           
SHEET    4   B 5 HIS A 191  LYS A 200 -1  O  LYS A 192   N  GLU A 105           
SHEET    5   B 5 SER A 178  THR A 187 -1  N  PHE A 186   O  VAL A 193           
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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