Header list of 2eot.pdb file
Complete list - r 9 2 Bytes
HEADER CYTOKINE 29-JUN-98 2EOT
TITLE SOLUTION STRUCTURE OF EOTAXIN, AN ENSEMBLE OF 32 NMR SOLUTION
TITLE 2 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 PREPARED
SOURCE 11 YES
KEYWDS CYTOKINE, CHEMOKINE, PROTEIN SYNTHESIS, EOTAXIN, SOLUTION STRUCTURE,
KEYWDS 2 CCR3, EOSINOPHIL
EXPDTA SOLUTION NMR
NUMMDL 32
AUTHOR M.P.CRUMP,K.RAJARATHNAM,K.-S.KIM,I.CLARK-LEWIS,B.D.SYKES
REVDAT 3 09-MAR-22 2EOT 1 REMARK
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,B.D.SYKES
JRNL TITL SOLUTION STRUCTURE OF EOTAXIN, A CHEMOKINE THAT SELECTIVELY
JRNL TITL 2 RECRUITS EOSINOPHILS IN ALLERGIC 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 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 MULTIPLE
REMARK 3 ROUNDS OF SIMULATED ANNEALING WITH THE ADDITION OF NEW NOES AND
REMARK 3 CORRECTION OF UNAMBIGUOUS NOES. PHI ANGLES WERE ONLY ADDED WHEN
REMARK 3 THEY AGREED WITH THE PURELY NOE DRIVEN CONVERGENCE OF THAT ANGLE
REMARK 3 IN INITIAL STRUCTURE CALCULATIONS. OTHER REFINEMENT INFORMATION
REMARK 3 CAN BE FOUND IN THE JRNL CITATION 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 100 THE DEPOSITION ID IS D_1000178038.
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; RPESY;
REMARK 210 13C-HSQC; 13C-EDITED HMQC-NOESY;
REMARK 210 15N-NOESY HSQC; 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 NO
REMARK 210 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 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 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
REMARK 500 THIS ENTRY HAS 204 RAMACHANDRAN OUTLIERS.
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
Complete list - r 9 2 Bytes