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Database: PDB
Entry: 1K37
LinkDB: 1K37
Original site: 1K37 
HEADER    HORMONE/GROWTH FACTOR                   02-OCT-01   1K37              
TITLE     NMR STRUCTURE OF HUMAN EPIREGULIN                                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EPIREGULIN;                                                
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 1-46;                                             
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 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: AD494;                                     
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET32A                                    
KEYWDS    EGF-LIKE FOLD, HORMONE/GROWTH FACTOR COMPLEX                          
EXPDTA    SOLUTION NMR                                                          
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    K.SATO,K.MIURA,M.TADA,T.AIZAWA,K.MIYAMOTO,K.KAWANO                    
REVDAT   3   24-FEB-09 1K37    1       VERSN                                    
REVDAT   2   17-FEB-04 1K37    1       JRNL                                     
REVDAT   1   30-SEP-03 1K37    0                                                
JRNL        AUTH   K.SATO,T.NAKAMURA,M.MIZUGUCHI,K.MIURA,M.TADA,                
JRNL        AUTH 2 T.AIZAWA,T.GOMI,K.MIYAMOTO,K.KAWANO                          
JRNL        TITL   SOLUTION STRUCTURE OF EPIREGULIN AND THE EFFECT OF           
JRNL        TITL 2 ITS C-TERMINAL DOMAIN FOR RECEPTOR BINDING AFFINITY          
JRNL        REF    FEBS LETT.                    V. 553   232 2003              
JRNL        REFN                   ISSN 0014-5793                               
JRNL        PMID   14572630                                                     
JRNL        DOI    10.1016/S0014-5793(03)01005-6                                
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 604 RESTRAINTS, 556 ARE NOE-DERIVED DISTANCE CONSTRAINTS,        
REMARK   3  38 DIHEDRAL ANGLE RESTRAINTS, 10 DISTANCE RESTRAINTS FROM           
REMARK   3  HYDROGEN BONDS.                                                     
REMARK   4                                                                      
REMARK   4 1K37 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-OCT-01.                  
REMARK 100 THE RCSB ID CODE IS RCSB014503.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303; 303                           
REMARK 210  PH                             : 3.4; 3.4                           
REMARK 210  IONIC STRENGTH                 : 0; 0                               
REMARK 210  PRESSURE                       : 1ATM; 1ATM                         
REMARK 210  SAMPLE CONTENTS                : 1.5MM EPIREGULIN, 90% H2O,         
REMARK 210                                   10% D2O; 1.5MM EPIREGULIN,         
REMARK 210                                   100% D2O                           
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D NOESY, DQF-COSY, 2D TOCSY       
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ                            
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : X-PLOR 3.1                         
REMARK 210   METHOD USED                   : DISTANCE GEOMETRY SIMULATED        
REMARK 210                                   ANNEALING                          
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 50                                 
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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D              
REMARK 210  HOMONUCLEAR TECHNIQUES.                                             
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    SER A   7     -166.29   -107.16                                   
REMARK 500    ASP A   9       35.38    -95.08                                   
REMARK 500    TYR A  13      -62.16   -158.65                                   
REMARK 500    SER A  26       94.82    -28.55                                   
REMARK 500    THR A  37       40.89   -108.92                                   
REMARK 500    CYS A  41       82.75     32.65                                   
REMARK 500    GLU A  42      -34.14   -143.85                                   
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  31         0.30    SIDE_CHAIN                              
REMARK 500    ARG A  40         0.25    SIDE_CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1K36   RELATED DB: PDB                                   
REMARK 900 1K36 IS 40 ENSEMBLE STRUCTURES OF EPIREGULIN                         
DBREF  1K37 A    1    46  UNP    O14944   EREG_HUMAN      63    108             
SEQRES   1 A   46  VAL SER ILE THR LYS CYS SER SER ASP MET ASN GLY TYR          
SEQRES   2 A   46  CYS LEU HIS GLY GLN CYS ILE TYR LEU VAL ASP MET SER          
SEQRES   3 A   46  GLN ASN TYR CYS ARG CYS GLU VAL GLY TYR THR GLY VAL          
SEQRES   4 A   46  ARG CYS GLU HIS PHE PHE LEU                                  
HELIX    1   1 SER A    7  ASN A   11  5                                   5    
SHEET    1   A 3 THR A   4  LYS A   5  0                                        
SHEET    2   A 3 GLY A  17  LEU A  22 -1  O  TYR A  21   N  THR A   4           
SHEET    3   A 3 GLN A  27  CYS A  32 -1  O  TYR A  29   N  ILE A  20           
SSBOND   1 CYS A    6    CYS A   19                          1555   1555  2.59  
SSBOND   2 CYS A   14    CYS A   30                          1555   1555  2.59  
SSBOND   3 CYS A   32    CYS A   41                          1555   1555  2.59  
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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