Header list of 1mhi.pdb file
Complete list - v 29 2 Bytes
HEADER HORMONE 30-NOV-94 1MHI
TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE OF AN INSULIN DIMER. A STUDY OF
TITLE 2 THE B9(ASP) MUTANT OF HUMAN INSULIN USING NUCLEAR MAGNETIC RESONANCE
TITLE 3 DISTANCE GEOMETRY AND RESTRAINED MOLECULAR DYNAMICS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INSULIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MUTATION: YES;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: INSULIN;
COMPND 8 CHAIN: B;
COMPND 9 ENGINEERED: YES;
COMPND 10 MUTATION: 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: SACCHAROMYCES CEREVISIAE;
SOURCE 6 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4932;
SOURCE 8 MOL_ID: 2;
SOURCE 9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 10 ORGANISM_COMMON: HUMAN;
SOURCE 11 ORGANISM_TAXID: 9606;
SOURCE 12 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE;
SOURCE 13 EXPRESSION_SYSTEM_COMMON: BAKER'S YEAST;
SOURCE 14 EXPRESSION_SYSTEM_TAXID: 4932
KEYWDS HORMONE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.M.M.JORGENSEN,S.M.KRISTENSEN,J.J.LED,P.BALSCHMIDT
REVDAT 4 29-NOV-17 1MHI 1 REMARK HELIX
REVDAT 3 24-FEB-09 1MHI 1 VERSN
REVDAT 2 01-APR-03 1MHI 1 JRNL
REVDAT 1 15-OCT-95 1MHI 0
JRNL AUTH A.M.JORGENSEN,S.M.KRISTENSEN,J.J.LED,P.BALSCHMIDT
JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF AN INSULIN DIMER. A
JRNL TITL 2 STUDY OF THE B9(ASP) MUTANT OF HUMAN INSULIN USING NUCLEAR
JRNL TITL 3 MAGNETIC RESONANCE, DISTANCE GEOMETRY AND RESTRAINED
JRNL TITL 4 MOLECULAR DYNAMICS.
JRNL REF J.MOL.BIOL. V. 227 1146 1992
JRNL REFN ISSN 0022-2836
JRNL PMID 1433291
JRNL DOI 10.1016/0022-2836(92)90527-Q
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH S.M.KRISTENSEN,J.J.LED
REMARK 1 TITL A CARBON-13 NMR STUDY OF THE B9(ASP) MUTANT OF HUMAN INSULIN
REMARK 1 REF MAGN.RESON.CHEM. V. 33 461 1995
REMARK 1 REFN ISSN 0749-1581
REMARK 1 REFERENCE 2
REMARK 1 AUTH M.D.SORENSEN,J.J.LED
REMARK 1 TITL STRUCTURAL DETAILS OF ASP(B9) HUMAN INSULIN AT LOW PH FROM
REMARK 1 TITL 2 2D NMR TITRATION STUDIES
REMARK 1 REF BIOCHEMISTRY V. 33 13727 1994
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 3
REMARK 1 AUTH R.MOSS,H.GESMAR,J.J.LED
REMARK 1 TITL A NEW LINEAR PREDICTION MODEL METHOD FOR THE DETERMINATION
REMARK 1 TITL 2 OF SLOW AMIDE PROTON EXCHANGE RATES FROM A SERIES OF
REMARK 1 TITL 3 ONE-DIMENSIONAL 1H NMR SPECTRA
REMARK 1 REF J.AM.CHEM.SOC. V. 116 747 1994
REMARK 1 REFN ISSN 0002-7863
REMARK 1 REFERENCE 4
REMARK 1 AUTH H.B.OLSEN,H.GESMAR,J.J.LED
REMARK 1 TITL SLOW AMIDE PROTON EXCHANGE RATES FROM THE LINE WIDTHS IN A
REMARK 1 TITL 2 SINGLE TWO-DIMENSIONAL 1H NMR SPECTRUM
REMARK 1 REF J.AM.CHEM.SOC. V. 115 1457 1993
REMARK 1 REFN ISSN 0002-7863
REMARK 1 REFERENCE 5
REMARK 1 AUTH S.M.KRISTENSEN,A.M.M.JORGENSEN,J.J.LED,P.BALSCHMIDT,
REMARK 1 AUTH 2 F.B.HANSEN
REMARK 1 TITL PROTON NUCLEAR MAGNETIC RESONANCE STUDY OF THE B9(ASP)
REMARK 1 TITL 2 MUTANT OF HUMAN INSULIN. SEQUENTIAL ASSIGNMENT AND SECONDARY
REMARK 1 TITL 3 STRUCTURE
REMARK 1 REF J.MOL.BIOL. V. 218 221 1991
REMARK 1 REFN ISSN 0022-2836
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DISGEO, X-PLOR 2.1
REMARK 3 AUTHORS : HAVEL,WUTHRICH (DISGEO), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1MHI 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_1000175002.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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
DBREF 1MHI A 1 21 UNP P01308 INS_HUMAN 90 110
DBREF 1MHI B 1 30 UNP P01308 INS_HUMAN 25 54
SEQADV 1MHI ASP B 9 UNP P01308 SER 33 CONFLICT
SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU
SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN
SEQRES 1 B 30 PHE VAL ASN GLN HIS LEU CYS GLY ASP HIS LEU VAL GLU
SEQRES 2 B 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR
SEQRES 3 B 30 THR PRO LYS THR
HELIX 1 A1 ILE A 2 THR A 8 1ALPHA HELIX 7
HELIX 2 A2 LEU A 13 CYS A 20 1ALPHA HELIX 8
HELIX 3 B1 GLY B 8 CYS B 19 1ALPHA HELIX 12
SSBOND 1 CYS A 6 CYS A 11 1555 1555 1.93
SSBOND 2 CYS A 7 CYS B 7 1555 1555 2.14
SSBOND 3 CYS A 20 CYS B 19 1555 1555 1.98
CISPEP 1 THR B 27 PRO B 28 15 23.98
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 - v 29 2 Bytes