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Database: PDB
Entry: 1EOT
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Original site: 1EOT 
HEADER    CYTOKINE                                17-JUN-98   1EOT              
TITLE     SOLUTION NMR STRUCTURE OF EOTAXIN, MINIMIZED AVERAGE                  
TITLE    2 STRUCTURE                                                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EOTAXIN;                                                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES;                                                     
COMPND   5 OTHER_DETAILS: BOTH SYNTHETIC AND RECOMBINANT SAMPLES WERE           
COMPND   6 PREPARED. RECOMBINANT SAMPLES WERE UNIFORMLY LABELLED WITH           
COMPND   7 N15.                                                                 
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 CELL_LINE: BL21;                                                     
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B;                                   
SOURCE  10 OTHER_DETAILS: BOTH SYNTHETIC AND RECOMBINANT SAMPLES WERE           
SOURCE  11 PREPARED YES                                                         
KEYWDS    CYTOKINE, CHEMOKINE, PROTEIN SYNTHESIS, EOTAXIN, SOLUTION             
KEYWDS   2 STRUCTURE, CCR3, EOSINOPHIL                                          
EXPDTA    SOLUTION NMR                                                          
AUTHOR    M.P.CRUMP,K.RAJARATHNAM,B.D.SYKES                                     
REVDAT   2   24-FEB-09 1EOT    1       VERSN                                    
REVDAT   1   13-JAN-99 1EOT    0                                                
JRNL        AUTH   M.P.CRUMP,K.RAJARATHNAM,K.S.KIM,I.CLARK-LEWIS,               
JRNL        AUTH 2 B.D.SYKES                                                    
JRNL        TITL   SOLUTION STRUCTURE OF EOTAXIN, A CHEMOKINE THAT              
JRNL        TITL 2 SELECTIVELY RECRUITS EOSINOPHILS IN ALLERGIC                 
JRNL        TITL 3 INFLAMMATION.                                                
JRNL        REF    J.BIOL.CHEM.                  V. 273 22471 1998              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   9712872                                                      
JRNL        DOI    10.1074/JBC.273.35.22471                                     
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: STRUCTURES WERE REFINED WITH              
REMARK   3  MULTIPLE ROUNDS OF SIMULATED ANNEALING WITH THE ADDITION OF         
REMARK   3  NEW NOES AND CORRECTION OF UNAMBIGUOUS NOES. PHI ANGLES WERE        
REMARK   3  ONLY ADDED WHEN THEY AGREED WITH THE PURELY NOE DRIVEN              
REMARK   3  CONVERGENCE OF THAT ANGLE IN INITIAL STRUCTURE CALCULATIONS.        
REMARK   3  OTHER REFINEMENT INFORMATION CAN BE FOUND IN THE JRNL CITATION      
REMARK   3  ABOVE.                                                              
REMARK   4                                                                      
REMARK   4 1EOT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 303                                
REMARK 210  PH                             : 5.00                               
REMARK 210  IONIC STRENGTH                 : 20MM SODIUM ACETATE                
REMARK 210  PRESSURE                       : 1ATM                               
REMARK 210  SAMPLE CONTENTS                : 90% H2O/10% H2O OR 100% D2O.       
REMARK 210                                   BUFFER ALSO CONTAINED 1MM DSS      
REMARK 210                                   AND 1MM SODIUM AZIDE.              
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : DQF-COSY, NOESY, TOCSY,            
REMARK 210                                   RPESY, 13C-HSQC, 13C-EDITED        
REMARK 210                                   HMQC-NOESY, 15N-NOESY HSQC,        
REMARK 210                                   15N TOCSY HSQC                     
REMARK 210  SPECTROMETER FIELD STRENGTH    : 500 MHZ, 600 MHZ                   
REMARK 210  SPECTROMETER MODEL             : UNITY 600, INOVA 500               
REMARK 210  SPECTROMETER MANUFACTURER      : VARIAN                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : VNMR, X-PLOR, NMRPIPE              
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 40                                 
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1                                  
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WERE SELECTED WITH      
REMARK 210                                   NO VIOLATIONS > 0.3 A OR           
REMARK 210                                   DIHEDRAL ANGLES > 0.5 A AND        
REMARK 210                                   GOOD COVALENT GEOMETRY.            
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: RESONANCE ASSIGNMENTS WERE ACHIEVED USING STANDARD TWO-      
REMARK 210  AND THREE-DIMENSIONAL SEQUENTIAL ASSIGNMENT TECHNIQUES. NMR         
REMARK 210  RESTRAINTS WERE EXTRACTED FROM 50, 75 AND 150 MS NOESY              
REMARK 210  EXPERIMENTS. COUPLING CONSTANTS WERE CALCULATED FROM AN HNHA        
REMARK 210  EXPERIMENT WITH UNIFORMLY LABELLED EOTAXIN.                         
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    ALA A   3       84.05    -69.32                                   
REMARK 500    SER A   4      -80.04     62.99                                   
REMARK 500    THR A   8      -66.51   -139.11                                   
REMARK 500    SER A  25     -175.29   -170.08                                   
REMARK 500    THR A  30       31.73   -164.18                                   
REMARK 500    LYS A  44       30.03    -97.68                                   
REMARK 500    SER A  69      174.95    -57.07                                   
REMARK 500    LYS A  73      164.76     51.53                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1EOT A    1    74  UNP    P51671   CCL11_HUMAN     24     97             
SEQRES   1 A   74  GLY PRO ALA SER VAL PRO THR THR CYS CYS PHE ASN LEU          
SEQRES   2 A   74  ALA ASN ARG LYS ILE PRO LEU GLN ARG LEU GLU SER TYR          
SEQRES   3 A   74  ARG ARG ILE THR SER GLY LYS CYS PRO GLN LYS ALA VAL          
SEQRES   4 A   74  ILE PHE LYS THR LYS LEU ALA LYS ASP ILE CYS ALA ASP          
SEQRES   5 A   74  PRO LYS LYS LYS TRP VAL GLN ASP SER MET LYS TYR LEU          
SEQRES   6 A   74  ASP GLN LYS SER PRO THR PRO LYS PRO                          
HELIX    1   1 TRP A   57  LYS A   68  1                                  12    
SHEET    1   A 3 ASP A  48  ALA A  51  0                                        
SHEET    2   A 3 ALA A  38  THR A  43 -1  N  PHE A  41   O  ILE A  49           
SHEET    3   A 3 SER A  25  ILE A  29 -1  N  ILE A  29   O  ALA A  38           
SSBOND   1 CYS A    9    CYS A   34                          1555   1555  2.02  
SSBOND   2 CYS A   10    CYS A   50                          1555   1555  2.02  
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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