Header list of 2hgf.pdb file
Complete list - 9 20 Bytes
HEADER HEPATOCYTE GROWTH FACTOR 18-DEC-97 2HGF
TITLE HAIRPIN LOOP CONTAINING DOMAIN OF HEPATOCYTE GROWTH FACTOR, NMR,
TITLE 2 MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HEPATOCYTE GROWTH FACTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: AMINO TERMINAL DOMAIN;
COMPND 5 SYNONYM: HGF/N;
COMPND 6 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
KEYWDS HEPATOCYTE GROWTH FACTOR, SCATTER FACTOR, HAIRPIN LOOP, HEPARIN
KEYWDS 2 BINDING, PLASMINOGEN RELATED, NK1
EXPDTA SOLUTION NMR
AUTHOR H.ZHOU,M.J.MAZZULLA,J.D.KAUFMAN,S.J.STAHL,P.T.WINGFIELD,J.S.RUBIN,
AUTHOR 2 D.P.BOTTARO,R.A.BYRD
REVDAT 3 09-MAR-22 2HGF 1 REMARK
REVDAT 2 24-FEB-09 2HGF 1 VERSN
REVDAT 1 24-JUN-98 2HGF 0
JRNL AUTH H.ZHOU,M.J.MAZZULLA,J.D.KAUFMAN,S.J.STAHL,P.T.WINGFIELD,
JRNL AUTH 2 J.S.RUBIN,D.P.BOTTARO,R.A.BYRD
JRNL TITL THE SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF
JRNL TITL 2 HEPATOCYTE GROWTH FACTOR REVEALS A POTENTIAL HEPARIN-BINDING
JRNL TITL 3 SITE.
JRNL REF STRUCTURE V. 6 109 1998
JRNL REFN ISSN 0969-2126
JRNL PMID 9493272
JRNL DOI 10.1016/S0969-2126(98)00012-4
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH S.J.STAHL,P.T.WINGFIELD,J.D.KAUFMAN,L.K.PANNELL,V.CIOCE,
REMARK 1 AUTH 2 H.SAKATA,W.G.TAYLOR,J.S.RUBIN,D.P.BOTTARO
REMARK 1 TITL FUNCTIONAL AND BIOPHYSICAL CHARACTERIZATION OF RECOMBINANT
REMARK 1 TITL 2 HUMAN HEPATOCYTE GROWTH FACTOR ISOFORMS PRODUCED IN
REMARK 1 TITL 3 ESCHERICHIA COLI
REMARK 1 REF BIOCHEM.J. V. 326 763 1997
REMARK 1 REFN ISSN 0264-6021
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.8
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2HGF 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_1000178188.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE REFERENCE.
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR3.8
REMARK 210 METHOD USED : DISTANCE-GEOMETRY SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 60
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : RESTRAINED, MINIMIZED MEAN
REMARK 210 STRUCTURE
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O PHE A 87 H TYR A 119 1.50
REMARK 500 O ARG A 33 H ARG A 36 1.51
REMARK 500 O ALA A 86 H PHE A 99 1.51
REMARK 500 H PHE A 87 O TYR A 119 1.52
REMARK 500 H LYS A 43 O GLU A 120 1.54
REMARK 500 O GLY A 113 H GLU A 115 1.54
REMARK 500 H ILE A 53 O GLY A 107 1.57
REMARK 500 H VAL A 64 O LYS A 94 1.59
REMARK 500
REMARK 500 REMARK: NULL
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 GLN A 32 77.86 -177.54
REMARK 500 LYS A 34 -92.01 38.86
REMARK 500 ILE A 51 -145.81 -122.26
REMARK 500 ALA A 56 40.25 -100.05
REMARK 500 LYS A 58 -154.76 -125.56
REMARK 500 ARG A 76 94.40 -42.73
REMARK 500 ASN A 77 -152.03 -61.42
REMARK 500 LYS A 78 26.55 42.91
REMARK 500 THR A 83 18.35 56.72
REMARK 500 CYS A 84 81.49 56.30
REMARK 500 SER A 105 177.55 -56.25
REMARK 500 GLU A 111 -154.82 -123.35
REMARK 500 PHE A 112 -115.22 -136.71
REMARK 500 HIS A 114 -57.42 64.58
REMARK 500 PHE A 116 -160.87 -79.59
REMARK 500 ILE A 125 104.89 -43.59
REMARK 500 ARG A 126 157.24 -39.66
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 33 0.31 SIDE CHAIN
REMARK 500 ARG A 35 0.32 SIDE CHAIN
REMARK 500 ARG A 36 0.31 SIDE CHAIN
REMARK 500 ARG A 73 0.25 SIDE CHAIN
REMARK 500 ARG A 76 0.22 SIDE CHAIN
REMARK 500 ARG A 93 0.31 SIDE CHAIN
REMARK 500 ARG A 126 0.31 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2HGF A 31 127 UNP P14210 HGF_HUMAN 31 127
SEQRES 1 A 97 GLY GLN ARG LYS ARG ARG ASN THR ILE HIS GLU PHE LYS
SEQRES 2 A 97 LYS SER ALA LYS THR THR LEU ILE LYS ILE ASP PRO ALA
SEQRES 3 A 97 LEU LYS ILE LYS THR LYS LYS VAL ASN THR ALA ASP GLN
SEQRES 4 A 97 CYS ALA ASN ARG CYS THR ARG ASN LYS GLY LEU PRO PHE
SEQRES 5 A 97 THR CYS LYS ALA PHE VAL PHE ASP LYS ALA ARG LYS GLN
SEQRES 6 A 97 CYS LEU TRP PHE PRO PHE ASN SER MET SER SER GLY VAL
SEQRES 7 A 97 LYS LYS GLU PHE GLY HIS GLU PHE ASP LEU TYR GLU ASN
SEQRES 8 A 97 LYS ASP TYR ILE ARG ASN
HELIX 1 B ILE A 39 GLU A 41 5 3
HELIX 2 A ALA A 67 THR A 75 1 9
SHEET 1 CEN 5 PHE A 42 ALA A 46 0
SHEET 2 CEN 5 LYS A 60 LYS A 63 1
SHEET 3 CEN 5 ALA A 86 ASP A 90 1
SHEET 4 CEN 5 GLN A 95 PHE A 99 -1
SHEET 5 CEN 5 ASP A 117 ASN A 121 1
SHEET 1 MIN 2 THR A 49 ILE A 51 0
SHEET 2 MIN 2 LYS A 109 GLU A 111 -1
SSBOND 1 CYS A 70 CYS A 96 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 - 9 20 Bytes