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Database: PDB
Entry: 1KLQ
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Original site: 1KLQ 
HEADER    CELL CYCLE                              12-DEC-01   1KLQ              
TITLE     THE MAD2 SPINDLE CHECKPOINT PROTEIN UNDERGOES SIMILAR MAJOR           
TITLE    2 CONFORMATIONAL CHANGES UPON BINDING TO EITHER MAD1 OR CDC20          
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: MITOTIC SPINDLE ASSEMBLY CHECKPOINT PROTEIN                
COMPND   3 MAD2A;                                                               
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: MISSING N-TERMINAL 10 RESIDUES;                            
COMPND   6 SYNONYM: MAD2; SPINDLE CHECKPOINT PROTEIN MAD2; MAD2-LIKE            
COMPND   7 1; HSMAD2; MITOTIC FEEDBACK CONTROL PROTEIN MADP2;                   
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: MAD2-BINDING PEPTIDE;                                      
COMPND  11 CHAIN: B;                                                            
COMPND  12 SYNONYM: MBP1;                                                       
COMPND  13 ENGINEERED: YES;                                                     
COMPND  14 OTHER_DETAILS: SYNTHETIC 12-MER                                      
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_STRAIN: M15[PREP4];                                
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PQE-30;                                   
SOURCE  10 MOL_ID: 2;                                                           
SOURCE  11 SYNTHETIC: YES;                                                      
SOURCE  12 OTHER_DETAILS: THIS SEQUENCE IS IDENTIFIED USING PHAGE               
SOURCE  13 DISPLAY                                                              
KEYWDS    PROTEIN-PEPTIDE COMPLEX, MAD2 FAMILY, CELL CYCLE                      
EXPDTA    SOLUTION NMR                                                          
AUTHOR    X.LUO,Z.TANG,J.RIZO,H.YU                                              
REVDAT   3   24-FEB-09 1KLQ    1       VERSN                                    
REVDAT   2   22-FEB-02 1KLQ    1       HELIX  SHEET  REMARK                     
REVDAT   1   25-JAN-02 1KLQ    0                                                
JRNL        AUTH   X.LUO,Z.TANG,J.RIZO,H.YU                                     
JRNL        TITL   THE MAD2 SPINDLE CHECKPOINT PROTEIN UNDERGOES                
JRNL        TITL 2 SIMILAR MAJOR CONFORMATIONAL CHANGES UPON BINDING            
JRNL        TITL 3 TO EITHER MAD1 OR CDC20.                                     
JRNL        REF    MOL.CELL                      V.   9    59 2002              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   11804586                                                     
JRNL        DOI    10.1016/S1097-2765(01)00435-X                                
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 0.9A                                             
REMARK   3   AUTHORS     : BRUNGER, A.T.                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL       
REMARK   3  OF 3124 RESTRAINTS, 2535 ARE NOE-DERIVED DISTANCE CONSTRAINTS,      
REMARK   3  363 DIHEDRAL ANGLE RESTRAINTS,226 DISTANCE RESTRAINTS FROM          
REMARK   3  HYDROGEN BONDS.                                                     
REMARK   4                                                                      
REMARK   4 1KLQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-DEC-01.                  
REMARK 100 THE RCSB ID CODE IS RCSB015085.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303; 303; 303; 303; 303; 303       
REMARK 210  PH                             : 7.4; 7.4; 7.4; 7.4; 7.4; 7.4       
REMARK 210  IONIC STRENGTH                 : 0.3M KCL; 0.3M KCL; 0.3M KCL;      
REMARK 210                                   0.3M KCL; 0.3M KCL; 0.3M KCL       
REMARK 210  PRESSURE                       : AMBIENT; AMBIENT; AMBIENT;         
REMARK 210                                   AMBIENT; AMBIENT; AMBIENT          
REMARK 210  SAMPLE CONTENTS                : 0.8MM MAD2 PROTEIN U-15N; 1MM      
REMARK 210                                   MBP1 NA; 50MM PHOSPHATE            
REMARK 210                                   BUFFER; 0.3M KCL; 1MM DTT;         
REMARK 210                                   0.8MM MAD2 PROTEIN U-15N, 13C,     
REMARK 210                                   2H; 1MM MBP1 NA; 50MM              
REMARK 210                                   PHOSPHATE BUFFER; 0.3M KCL;        
REMARK 210                                   1MM DTT; 0.8MM MAD2 PROTEIN U-     
REMARK 210                                   15N, 13C; 1MM MBP1 NA; 50MM        
REMARK 210                                   PHOSPHATE BUFFER; 0.3M KCL;        
REMARK 210                                   1MM DTT; 0.8MM MAD2 PROTEIN U-     
REMARK 210                                   15N, 13C, U-60% 2H; 1MM MBP1       
REMARK 210                                   NA; 50MM PHOSPHATE BUFFER;         
REMARK 210                                   0.3M KCL; 1MM DTT; 0.8MM MBP1      
REMARK 210                                   U-15N; 1MM MAD2 PROTEIN NA;        
REMARK 210                                   50MM PHOSPHATE BUFFER; 0.3M        
REMARK 210                                   KCL; 1MM DTT; 0.8MM MBP1 U-        
REMARK 210                                   15N, 13C; 1MM MAD2 PROTEIN NA;     
REMARK 210                                   50MM PHOSPHATE BUFFER; 0.3M        
REMARK 210                                   KCL; 1MM DTT                       
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 3D_15N-SEPARATED_NOESY, HNCA,      
REMARK 210                                   3D_13C-SEPARATED_NOESY, 3D_        
REMARK 210                                   H(CC)(CO)NH, HN(CO)CA, 3D_(H)      
REMARK 210                                   C(C)(CO)NH, HN(COCA)CB, HN(CA)     
REMARK 210                                   CB                                 
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : INOVA                              
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS 0.9A                           
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS             
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
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 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     ALA B    11                                                      
REMARK 465     VAL B    12                                                      
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   OH   TYR A    40     OG1  THR A    58              2.19            
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    THR A  14      -67.84   -144.75                                   
REMARK 500    GLU A  43        1.10    -68.82                                   
REMARK 500    TYR A  51       15.38     59.29                                   
REMARK 500    SER A  82      115.05     80.39                                   
REMARK 500    SER A  95       60.28    165.00                                   
REMARK 500    GLU A  97     -163.83     46.79                                   
REMARK 500    ASP A 109      116.18     68.28                                   
REMARK 500    THR A 111       99.10     59.85                                   
REMARK 500    ALA A 112       46.02   -161.78                                   
REMARK 500    ARG A 119      110.06     60.78                                   
REMARK 500    LEU A 146      149.33     61.62                                   
REMARK 500    LEU A 147      141.70    177.66                                   
REMARK 500    GLU A 148       73.16    176.74                                   
REMARK 500    THR A 159     -162.59   -112.54                                   
REMARK 500    ASP A 160      -74.05   -126.40                                   
REMARK 500    PRO A 166     -128.69    -91.95                                   
REMARK 500    SER A 172     -124.08    178.37                                   
REMARK 500    PRO A 174      -14.08    -49.43                                   
REMARK 500    PHE A 176       52.43     23.75                                   
REMARK 500    ILE A 177     -164.91     45.23                                   
REMARK 500    PRO A 204     -179.38    -64.43                                   
REMARK 500    VAL A 205       68.60     64.69                                   
REMARK 500    PRO B   8     -157.75    -61.90                                   
REMARK 500    GLN B   9      -66.06   -140.45                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1DUJ   RELATED DB: PDB                                   
REMARK 900 THE SOLUTION STRUCTURE OF THE FREE MAD2 PROTEIN                      
DBREF  1KLQ A   11   207  UNP    Q13257   MD2L1_HUMAN      9    205             
DBREF  1KLQ B    1    12  PDB    1KLQ     1KLQ             1     12             
SEQADV 1KLQ GLY A   11  UNP  Q13257    GLN     9 EXPRESSION TAG                 
SEQADV 1KLQ SER A   12  UNP  Q13257    GLY    10 EXPRESSION TAG                 
SEQRES   1 A  197  GLY SER ILE THR LEU ARG GLY SER ALA GLU ILE VAL ALA          
SEQRES   2 A  197  GLU PHE PHE SER PHE GLY ILE ASN SER ILE LEU TYR GLN          
SEQRES   3 A  197  ARG GLY ILE TYR PRO SER GLU THR PHE THR ARG VAL GLN          
SEQRES   4 A  197  LYS TYR GLY LEU THR LEU LEU VAL THR THR ASP LEU GLU          
SEQRES   5 A  197  LEU ILE LYS TYR LEU ASN ASN VAL VAL GLU GLN LEU LYS          
SEQRES   6 A  197  ASP TRP LEU TYR LYS CYS SER VAL GLN LYS LEU VAL VAL          
SEQRES   7 A  197  VAL ILE SER ASN ILE GLU SER GLY GLU VAL LEU GLU ARG          
SEQRES   8 A  197  TRP GLN PHE ASP ILE GLU CYS ASP LYS THR ALA LYS ASP          
SEQRES   9 A  197  ASP SER ALA PRO ARG GLU LYS SER GLN LYS ALA ILE GLN          
SEQRES  10 A  197  ASP GLU ILE ARG SER VAL ILE ARG GLN ILE THR ALA THR          
SEQRES  11 A  197  VAL THR PHE LEU PRO LEU LEU GLU VAL SER CYS SER PHE          
SEQRES  12 A  197  ASP LEU LEU ILE TYR THR ASP LYS ASP LEU VAL VAL PRO          
SEQRES  13 A  197  GLU LYS TRP GLU GLU SER GLY PRO GLN PHE ILE THR ASN          
SEQRES  14 A  197  SER GLU GLU VAL ARG LEU ARG SER PHE THR THR THR ILE          
SEQRES  15 A  197  HIS LYS VAL ASN SER MET VAL ALA TYR LYS ILE PRO VAL          
SEQRES  16 A  197  ASN ASP                                                      
SEQRES   1 B   12  SER TRP TYR SER TYR PRO PRO PRO GLN ARG ALA VAL              
HELIX    1   1 THR A   14  GLY A   38  125                                25    
HELIX    2   2 PRO A   41  GLU A   43  53                                  3    
HELIX    3   3 ASP A   60  TYR A   79  120                                20    
HELIX    4   4 GLN A  123  LEU A  144  122                                22    
SHEET    1   A 2 PHE A  45  LYS A  50  0                                        
SHEET    2   A 2 LEU A  53  THR A  58 -1  O  LEU A  55   N  VAL A  48           
SHEET    1   B 7 GLU A 181  THR A 190  0                                        
SHEET    2   B 7 HIS A 193  LYS A 202 -1  O  VAL A 199   N  VAL A 183           
SHEET    3   B 7 GLU A  97  CYS A 108 -1  N  ARG A 101   O  ALA A 200           
SHEET    4   B 7 GLN A  84  ASN A  92 -1  N  ILE A  90   O  GLU A 100           
SHEET    5   B 7 CYS A 151  THR A 159 -1  O  TYR A 158   N  LYS A  85           
SHEET    6   B 7 TRP B   2  TYR B   5 -1  O  TYR B   5   N  LEU A 155           
SHEET    7   B 7 GLU A 170  GLU A 171 -1  N  GLU A 170   O  SER B   4           
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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