Header list of 1il6.pdb file
Complete list - 23 20 Bytes
HEADER CYTOKINE 31-JAN-97 1IL6
TITLE HUMAN INTERLEUKIN-6, NMR, MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INTERLEUKIN-6;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606
KEYWDS CYTOKINE, GLYCOPROTEIN, GROWTH FACTOR
EXPDTA SOLUTION NMR
AUTHOR G.Y.XU,H.A.YU,J.HONG,M.STAHL,T.MCDONAGH,L.E.KAY,D.A.CUMMING
REVDAT 4 23-FEB-22 1IL6 1 REMARK
REVDAT 3 24-FEB-09 1IL6 1 VERSN
REVDAT 2 01-APR-03 1IL6 1 JRNL
REVDAT 1 04-FEB-98 1IL6 0
JRNL AUTH G.Y.XU,H.A.YU,J.HONG,M.STAHL,T.MCDONAGH,L.E.KAY,D.A.CUMMING
JRNL TITL SOLUTION STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-6.
JRNL REF J.MOL.BIOL. V. 268 468 1997
JRNL REFN ISSN 0022-2836
JRNL PMID 9159484
JRNL DOI 10.1006/JMBI.1997.0933
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH G.Y.XU,J.HONG,T.MCDONAGH,M.STAHL,L.E.KAY,J.SEEHRA,
REMARK 1 AUTH 2 D.A.CUMMING
REMARK 1 TITL COMPLETE 1H, 15N AND 13C ASSIGNMENTS, SECONDARY STRUCTURE,
REMARK 1 TITL 2 AND TOPOLOGY OF RECOMBINANT HUMAN INTERLEUKIN-6
REMARK 1 REF J.BIOMOL.NMR V. 8 123 1996
REMARK 1 REFN ISSN 0925-2738
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 ARE BASED ON 2961
REMARK 3 INTERPROTON DISTANCE RESTRAINTS DERIVED FROM NMR MEASUREMENTS
REMARK 3 INCLUDING 138 HYDROGEN BOND RESTRAINTS FROM 69 HYDROGEN BONDS
REMARK 3 IDENTIFIED USING AMIDE EXCHANGE DATA AND INITIAL STRUCTURE
REMARK 3 CALCULATIONS. IN ADDITION, 83 PHI BACKBONE TORSION ANGLE
REMARK 3 RESTRAINTS WERE DERIVED FROM COUPLING CONSTANTS. THE METHOD USED
REMARK 3 TO DERIVE THE FINAL ENSEMBLE OF STRUCTURES IS THE HYBRID METRIC
REMARK 3 MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD
REMARK 3 (M. NILGES, G.M. CLORE, AND A.M. GRONENBORN (1988) FEBS LETT.
REMARK 3 229, 317-324.
REMARK 4
REMARK 4 1IL6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000174177.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.1
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2/3/4D NOESY; TOCSY; ETC.
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY PLUS 600
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING.
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 75
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
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 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 A 1
REMARK 465 PRO A 2
REMARK 465 VAL A 3
REMARK 465 PRO A 4
REMARK 465 PRO A 5
REMARK 465 GLY A 6
REMARK 465 GLU A 7
REMARK 465 ASP A 8
REMARK 465 SER A 9
REMARK 465 LYS A 10
REMARK 465 ASP A 11
REMARK 465 VAL A 12
REMARK 465 ALA A 13
REMARK 465 ALA A 14
REMARK 465 PRO A 15
REMARK 465 HIS A 16
REMARK 465 ARG A 17
REMARK 465 GLN A 18
REMARK 465 PRO A 19
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 44 41.79 -86.35
REMARK 500 CYS A 45 -47.87 -149.28
REMARK 500 LYS A 47 30.24 -92.90
REMARK 500 ASN A 49 19.80 47.82
REMARK 500 MET A 50 39.36 -152.26
REMARK 500 CYS A 51 -60.29 -155.33
REMARK 500 GLU A 52 44.31 -163.23
REMARK 500 SER A 53 -73.56 -49.03
REMARK 500 SER A 54 33.64 -172.83
REMARK 500 LYS A 55 -50.93 -157.87
REMARK 500 GLU A 56 -69.58 177.72
REMARK 500 ALA A 57 82.57 77.44
REMARK 500 LEU A 58 95.61 -58.58
REMARK 500 ASN A 62 93.63 63.76
REMARK 500 LEU A 63 -168.53 -57.61
REMARK 500 LYS A 67 54.77 175.48
REMARK 500 MET A 68 138.87 -174.60
REMARK 500 ALA A 69 -163.16 -177.92
REMARK 500 SER A 77 104.29 -55.64
REMARK 500 PHE A 79 98.09 -63.88
REMARK 500 GLU A 81 -56.08 -141.46
REMARK 500 LEU A 134 -150.89 -136.03
REMARK 500 ALA A 136 -19.84 84.19
REMARK 500 ILE A 137 17.09 59.33
REMARK 500 THR A 138 -154.93 48.97
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 25 0.26 SIDE CHAIN
REMARK 500 ARG A 31 0.19 SIDE CHAIN
REMARK 500 ARG A 41 0.24 SIDE CHAIN
REMARK 500 ARG A 105 0.30 SIDE CHAIN
REMARK 500 ARG A 114 0.18 SIDE CHAIN
REMARK 500 ARG A 169 0.16 SIDE CHAIN
REMARK 500 ARG A 180 0.28 SIDE CHAIN
REMARK 500 ARG A 183 0.25 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2IL6 RELATED DB: PDB
DBREF 1IL6 A 1 185 UNP P05231 IL6_HUMAN 28 212
SEQRES 1 A 185 ALA PRO VAL PRO PRO GLY GLU ASP SER LYS ASP VAL ALA
SEQRES 2 A 185 ALA PRO HIS ARG GLN PRO LEU THR SER SER GLU ARG ILE
SEQRES 3 A 185 ASP LYS GLN ILE ARG TYR ILE LEU ASP GLY ILE SER ALA
SEQRES 4 A 185 LEU ARG LYS GLU THR CYS ASN LYS SER ASN MET CYS GLU
SEQRES 5 A 185 SER SER LYS GLU ALA LEU ALA GLU ASN ASN LEU ASN LEU
SEQRES 6 A 185 PRO LYS MET ALA GLU LYS ASP GLY CYS PHE GLN SER GLY
SEQRES 7 A 185 PHE ASN GLU GLU THR CYS LEU VAL LYS ILE ILE THR GLY
SEQRES 8 A 185 LEU LEU GLU PHE GLU VAL TYR LEU GLU TYR LEU GLN ASN
SEQRES 9 A 185 ARG PHE GLU SER SER GLU GLU GLN ALA ARG ALA VAL GLN
SEQRES 10 A 185 MET SER THR LYS VAL LEU ILE GLN PHE LEU GLN LYS LYS
SEQRES 11 A 185 ALA LYS ASN LEU ASP ALA ILE THR THR PRO ASP PRO THR
SEQRES 12 A 185 THR ASN ALA SER LEU LEU THR LYS LEU GLN ALA GLN ASN
SEQRES 13 A 185 GLN TRP LEU GLN ASP MET THR THR HIS LEU ILE LEU ARG
SEQRES 14 A 185 SER PHE LYS GLU PHE LEU GLN SER SER LEU ARG ALA LEU
SEQRES 15 A 185 ARG GLN MET
HELIX 1 1 SER A 22 ARG A 41 1 20
HELIX 2 2 GLU A 43 ASN A 46 1 4
HELIX 3 3 GLU A 82 ASN A 104 1 23
HELIX 4 4 GLU A 110 LYS A 130 1 21
HELIX 5 5 PRO A 142 GLN A 153 1 12
HELIX 6 6 GLN A 157 ARG A 183 1 27
SSBOND 1 CYS A 45 CYS A 51 1555 1555 2.02
SSBOND 2 CYS A 74 CYS A 84 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
Complete list - 23 20 Bytes