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Database: PDB
Entry: 2EOT
LinkDB: 2EOT
Original site: 2EOT 
HEADER    CYTOKINE                                29-JUN-98   2EOT              
TITLE     SOLUTION STRUCTURE OF EOTAXIN, AN ENSEMBLE OF 32 NMR                  
TITLE    2 SOLUTION STRUCTURES                                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: EOTAXIN;                                                   
COMPND   3 CHAIN: A;                                                            
COMPND   4 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 BL21(DE3);                       
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
SOURCE   8 EXPRESSION_SYSTEM_VARIANT: 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                                                          
NUMMDL    32                                                                    
AUTHOR    M.P.CRUMP,K.RAJARATHNAM,K.-S.KIM,I.CLARK-LEWIS,B.D.SYKES              
REVDAT   2   24-FEB-09 2EOT    1       VERSN                                    
REVDAT   1   11-NOV-98 2EOT    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 2EOT 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                       : 1 ATM                              
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    : 32                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WERE SELECTED WITH      
REMARK 210                                   NO VIOLATIONS GREATER THAN 0.3     
REMARK 210                                   ANGSTROMS OR DIHEDRAL ANGLES       
REMARK 210                                   GREATER THAN 0.5 ANGSTROMS AND     
REMARK 210                                   GOOD COVALENT GEOMETRY.            
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
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  1 SER A   4      -54.35   -134.97                                   
REMARK 500  1 VAL A   5      -66.55   -155.93                                   
REMARK 500  1 THR A   8      -64.25   -149.66                                   
REMARK 500  1 PHE A  11      -47.97   -133.81                                   
REMARK 500  1 THR A  30       32.55   -164.62                                   
REMARK 500  1 THR A  71      148.01   -174.62                                   
REMARK 500  1 LYS A  73      -55.66    177.32                                   
REMARK 500  2 SER A  25     -179.66   -170.32                                   
REMARK 500  2 THR A  30       31.78   -164.10                                   
REMARK 500  3 ALA A   3      -70.91   -123.57                                   
REMARK 500  3 ASN A  12       74.49     60.83                                   
REMARK 500  3 SER A  25     -171.20   -172.28                                   
REMARK 500  3 THR A  30       35.55   -171.70                                   
REMARK 500  3 THR A  71       87.93     51.07                                   
REMARK 500  4 SER A   4      -71.04   -110.81                                   
REMARK 500  4 THR A   7      -61.32    -97.28                                   
REMARK 500  4 THR A   8      -64.71   -136.28                                   
REMARK 500  4 THR A  30       32.43   -164.91                                   
REMARK 500  4 SER A  69      109.90    -58.24                                   
REMARK 500  5 CYS A  10      -71.39   -112.71                                   
REMARK 500  5 ASN A  12       83.34   -174.89                                   
REMARK 500  5 SER A  25      159.02    179.76                                   
REMARK 500  5 THR A  30       29.42   -157.98                                   
REMARK 500  5 LYS A  33      -65.72   -121.03                                   
REMARK 500  5 THR A  43     -167.50   -107.81                                   
REMARK 500  5 THR A  71       74.27   -178.86                                   
REMARK 500  5 LYS A  73      -53.02    174.82                                   
REMARK 500  6 ALA A   3      -63.58   -171.28                                   
REMARK 500  6 SER A  25     -173.20   -179.10                                   
REMARK 500  6 THR A  30       35.85   -171.92                                   
REMARK 500  6 SER A  31     -172.86    -69.63                                   
REMARK 500  7 ALA A   3     -179.39     60.64                                   
REMARK 500  7 SER A   4       84.97     60.40                                   
REMARK 500  7 THR A   8      117.48   -163.75                                   
REMARK 500  7 CYS A  10       78.44    178.71                                   
REMARK 500  7 ASN A  12       65.03     63.43                                   
REMARK 500  7 SER A  25      154.33    179.78                                   
REMARK 500  7 THR A  30       34.64   -170.00                                   
REMARK 500  7 SER A  31     -169.64    -75.92                                   
REMARK 500  7 ALA A  38     -173.80   -178.15                                   
REMARK 500  7 THR A  43     -164.23   -108.04                                   
REMARK 500  7 LYS A  73       85.37   -170.65                                   
REMARK 500  8 ALA A   3      -55.59   -173.88                                   
REMARK 500  8 SER A   4      -67.69   -136.95                                   
REMARK 500  8 THR A   8      -64.87   -132.38                                   
REMARK 500  8 ASN A  12       82.66     61.33                                   
REMARK 500  8 THR A  30       28.27   -154.20                                   
REMARK 500  8 LYS A  73       84.42     60.11                                   
REMARK 500  9 ALA A   3       32.33   -154.19                                   
REMARK 500  9 THR A   7      -62.22   -135.43                                   
REMARK 500  9 ASN A  12       81.34     61.21                                   
REMARK 500  9 THR A  30       31.03   -162.44                                   
REMARK 500  9 ALA A  38     -177.62   -177.02                                   
REMARK 500 10 SER A   4      172.78     55.62                                   
REMARK 500 10 SER A  25     -177.70   -176.41                                   
REMARK 500 10 THR A  30       31.75   -163.83                                   
REMARK 500 10 ALA A  38     -177.93   -176.57                                   
REMARK 500 10 THR A  43     -166.82   -104.01                                   
REMARK 500 11 ALA A   3     -173.35    -62.43                                   
REMARK 500 11 SER A   4      -70.20    -72.53                                   
REMARK 500 11 ILE A  29     -158.34   -104.67                                   
REMARK 500 11 ALA A  38     -173.06   -174.25                                   
REMARK 500 11 THR A  43     -169.75   -101.64                                   
REMARK 500 12 ALA A   3      -70.95   -117.41                                   
REMARK 500 12 SER A   4      -73.59   -161.55                                   
REMARK 500 12 PHE A  11      -46.92   -132.14                                   
REMARK 500 12 THR A  30       62.54    174.80                                   
REMARK 500 12 ALA A  38     -166.68   -179.52                                   
REMARK 500 12 THR A  71       91.27     61.43                                   
REMARK 500 12 LYS A  73      -55.52    177.78                                   
REMARK 500 13 THR A   7       97.95     56.85                                   
REMARK 500 13 ASN A  12       82.02   -159.01                                   
REMARK 500 13 THR A  30       34.23   -164.01                                   
REMARK 500 13 LYS A  44       30.17    -98.23                                   
REMARK 500 13 SER A  69      109.41    -56.20                                   
REMARK 500 13 THR A  71       90.57     48.10                                   
REMARK 500 14 ALA A   3       89.91    -69.36                                   
REMARK 500 14 THR A   7       80.42    -68.10                                   
REMARK 500 14 THR A   8      -64.09   -105.92                                   
REMARK 500 14 SER A  25     -171.72   -176.72                                   
REMARK 500 14 THR A  30       30.18   -159.41                                   
REMARK 500 14 LYS A  44       30.67    -97.57                                   
REMARK 500 14 THR A  71      160.72     58.52                                   
REMARK 500 15 SER A   4       32.75   -164.88                                   
REMARK 500 15 THR A   7      -47.16   -140.02                                   
REMARK 500 15 THR A   8      115.87   -164.04                                   
REMARK 500 15 ASN A  12       76.73     41.72                                   
REMARK 500 15 SER A  25     -174.21   -171.96                                   
REMARK 500 15 THR A  30       42.12   -164.15                                   
REMARK 500 15 SER A  31      -72.77    -60.24                                   
REMARK 500 16 ALA A   3      110.30     61.23                                   
REMARK 500 16 SER A   4     -170.49     56.00                                   
REMARK 500 16 ASN A  12       83.25   -178.14                                   
REMARK 500 16 THR A  30       31.79   -163.77                                   
REMARK 500 16 LYS A  44       30.36    -97.92                                   
REMARK 500 16 LYS A  73      163.70     60.24                                   
REMARK 500 17 ALA A   3      -66.90     69.87                                   
REMARK 500 17 SER A   4       62.17     61.14                                   
REMARK 500 17 PRO A   6      -72.08    -81.52                                   
REMARK 500 17 THR A   8      -63.73   -164.59                                   
REMARK 500 17 THR A  30       31.67   -163.99                                   
REMARK 500 17 LYS A  44       30.12    -98.37                                   
REMARK 500 17 SER A  69      104.93    -47.74                                   
REMARK 500 17 THR A  71       74.31     52.80                                   
REMARK 500 18 CYS A   9      -71.46   -111.93                                   
REMARK 500 18 CYS A  10      -70.11    179.53                                   
REMARK 500 18 PHE A  11      177.96     59.94                                   
REMARK 500 18 THR A  30       31.49   -149.46                                   
REMARK 500 18 SER A  69      109.75    -57.33                                   
REMARK 500 19 ALA A   3      -77.41     65.29                                   
REMARK 500 19 THR A   8      176.17     60.97                                   
REMARK 500 19 CYS A  10       76.76     63.43                                   
REMARK 500 19 THR A  30       32.10   -160.81                                   
REMARK 500 19 SER A  31     -172.30    -63.73                                   
REMARK 500 19 THR A  71       63.55   -177.50                                   
REMARK 500 19 LYS A  73       82.09     60.15                                   
REMARK 500 20 SER A   4      -70.70   -130.87                                   
REMARK 500 20 THR A   7      -47.12   -161.09                                   
REMARK 500 20 THR A   8      173.28     60.96                                   
REMARK 500 20 ASN A  12       79.04   -168.71                                   
REMARK 500 20 THR A  30       30.81   -161.17                                   
REMARK 500 20 ALA A  38     -177.58   -172.65                                   
REMARK 500 20 THR A  43     -167.65   -101.66                                   
REMARK 500 20 LYS A  44       30.12    -98.43                                   
REMARK 500 21 ALA A   3      -65.18   -108.98                                   
REMARK 500 21 SER A   4       84.13   -161.40                                   
REMARK 500 21 THR A   7      -52.52   -139.03                                   
REMARK 500 21 THR A   8      -64.71   -154.54                                   
REMARK 500 21 ILE A  29     -159.58   -104.63                                   
REMARK 500 21 THR A  30       31.23     71.93                                   
REMARK 500 21 ALA A  38     -177.16   -178.11                                   
REMARK 500 21 THR A  71       89.42   -153.78                                   
REMARK 500 22 ALA A   3       88.82   -152.53                                   
REMARK 500 22 SER A   4      165.11     60.66                                   
REMARK 500 22 PHE A  11      -47.77   -140.01                                   
REMARK 500 22 THR A  30       29.82   -158.83                                   
REMARK 500 22 LYS A  73      146.79     63.46                                   
REMARK 500 23 ALA A   3       95.70     60.82                                   
REMARK 500 23 SER A   4       74.27   -158.24                                   
REMARK 500 23 THR A   8      -67.32     69.52                                   
REMARK 500 23 PHE A  11      -47.56   -138.24                                   
REMARK 500 23 THR A  30       34.97   -169.55                                   
REMARK 500 23 SER A  31     -172.39    -63.55                                   
REMARK 500 23 LYS A  44       30.92    -97.24                                   
REMARK 500 23 LYS A  73       88.87     60.24                                   
REMARK 500 24 ALA A   3      173.64     60.75                                   
REMARK 500 24 SER A   4     -177.42    -69.57                                   
REMARK 500 24 ILE A  29     -153.43    -93.31                                   
REMARK 500 24 THR A  30       43.69     78.52                                   
REMARK 500 24 SER A  31     -160.16    -59.77                                   
REMARK 500 24 LYS A  33       67.27   -170.58                                   
REMARK 500 24 ALA A  38     -171.38   -176.49                                   
REMARK 500 24 LYS A  73      154.52     61.84                                   
REMARK 500 25 ASN A  12       83.04     60.14                                   
REMARK 500 25 THR A  30       30.17   -160.76                                   
REMARK 500 25 ALA A  38     -178.20   -178.26                                   
REMARK 500 25 THR A  71       72.47     52.85                                   
REMARK 500 25 LYS A  73      -55.23    176.09                                   
REMARK 500 26 ALA A   3      -52.68   -164.31                                   
REMARK 500 26 ASN A  12       81.69   -161.34                                   
REMARK 500 26 SER A  25      149.50    179.71                                   
REMARK 500 26 THR A  30       39.04    178.81                                   
REMARK 500 26 THR A  43     -166.67   -104.01                                   
REMARK 500 27 ALA A   3      -79.77     64.30                                   
REMARK 500 27 SER A   4      -79.17    175.34                                   
REMARK 500 27 THR A   7       34.42   -166.98                                   
REMARK 500 27 CYS A   9     -169.65   -107.48                                   
REMARK 500 27 ASN A  12       68.25     61.17                                   
REMARK 500 27 THR A  30       31.01   -159.25                                   
REMARK 500 27 ALA A  38     -178.16   -176.77                                   
REMARK 500 27 THR A  43     -169.34   -105.51                                   
REMARK 500 27 THR A  71      144.20     63.73                                   
REMARK 500 28 ALA A   3      -44.82   -164.91                                   
REMARK 500 28 VAL A   5       82.53     50.37                                   
REMARK 500 28 CYS A  10      129.93     65.42                                   
REMARK 500 28 LEU A  13     -160.04     37.39                                   
REMARK 500 28 SER A  25     -172.64   -178.19                                   
REMARK 500 28 THR A  30       32.35   -165.85                                   
REMARK 500 28 LYS A  73       85.25     60.29                                   
REMARK 500 29 VAL A   5      -66.87   -155.41                                   
REMARK 500 29 PRO A   6      -80.78    -72.28                                   
REMARK 500 29 THR A   7      -53.65   -165.71                                   
REMARK 500 29 THR A   8     -162.44    -69.40                                   
REMARK 500 29 ILE A  29     -153.81   -105.89                                   
REMARK 500 29 THR A  30       35.44     78.14                                   
REMARK 500 29 LYS A  33      -67.43   -165.33                                   
REMARK 500 29 ALA A  38     -173.42   -179.58                                   
REMARK 500 29 THR A  43     -166.15   -104.32                                   
REMARK 500 30 ALA A   3      163.41     60.32                                   
REMARK 500 30 SER A  25     -170.96   -172.46                                   
REMARK 500 30 THR A  30       38.53   -178.12                                   
REMARK 500 30 THR A  71       87.35   -160.93                                   
REMARK 500 31 ALA A   3      104.10   -170.32                                   
REMARK 500 31 THR A   7       32.58   -140.33                                   
REMARK 500 31 CYS A   9      -79.07    -93.00                                   
REMARK 500 31 CYS A  10      141.63   -179.12                                   
REMARK 500 31 ASN A  12       62.51   -154.20                                   
REMARK 500 31 THR A  30       41.69   -175.50                                   
REMARK 500 31 LYS A  33       30.02    -99.08                                   
REMARK 500 31 ALA A  38     -177.84   -177.71                                   
REMARK 500 31 LYS A  68      -71.00    -72.67                                   
REMARK 500 31 LYS A  73       72.23   -154.43                                   
REMARK 500 32 SER A  25      156.04    179.84                                   
REMARK 500 32 THR A  30       31.75   -161.95                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2EOT 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 LYS A   56  LYS A   68  1                                  13    
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 LEU A  23  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                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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