Header list of 1iet.pdb file
Complete list - 23 202 Bytes
HEADER ELECTRON TRANSPORT 20-APR-96 1IET
TITLE APOCYTOCHROME B5, PH 6.2, 298 K, NMR, MINIMIZED AVERAGE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: APOCYTOCHROME B5;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
SOURCE 3 ORGANISM_COMMON: NORWAY RAT;
SOURCE 4 ORGANISM_TAXID: 10116;
SOURCE 5 CELL_LINE: BL21;
SOURCE 6 ORGAN: LIVER;
SOURCE 7 GENE: CYTB5;
SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 10 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET-3D;
SOURCE 12 EXPRESSION_SYSTEM_GENE: CYTB5
KEYWDS ELECTRON TRANSPORT
EXPDTA SOLUTION NMR
AUTHOR C.J.FALZONE,J.T.J.LECOMTE
REVDAT 3 23-FEB-22 1IET 1 REMARK
REVDAT 2 24-FEB-09 1IET 1 VERSN
REVDAT 1 21-APR-97 1IET 0
JRNL AUTH C.J.FALZONE,M.R.MAYER,E.L.WHITEMAN,C.D.MOORE,J.T.LECOMTE
JRNL TITL DESIGN CHALLENGES FOR HEMOPROTEINS: THE SOLUTION STRUCTURE
JRNL TITL 2 OF APOCYTOCHROME B5.
JRNL REF BIOCHEMISTRY V. 35 6519 1996
JRNL REFN ISSN 0006-2960
JRNL PMID 8639599
JRNL DOI 10.1021/BI960501Q
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH F.S.MATHEWS,E.W.CZERWINSKI,P.ARGOS
REMARK 1 TITL THE X-RAY CRYSTALLOGRAPHIC STRUCTURE OF CALF LIVER
REMARK 1 TITL 2 CYTOCHROME B5
REMARK 1 EDIT D.DOLPHIN
REMARK 1 REF THE PORPHYRINS V.7: V. 7 107 1979
REMARK 1 REF 2 BIOCHEMISTRY, PT.B
REMARK 1 PUBL NEW YORK : ACADEMIC PRESS
REMARK 1 REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1IET 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_1000174124.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.2
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 : 1
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: 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 -3
REMARK 465 GLU A -2
REMARK 465 GLN A -1
REMARK 465 SER A 0
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 SER A 18 -35.96 178.12
REMARK 500 SER A 20 94.51 -63.23
REMARK 500 HIS A 27 73.30 58.60
REMARK 500 LYS A 28 160.05 179.80
REMARK 500 ARG A 47 -51.32 -140.76
REMARK 500 GLU A 48 97.04 -62.83
REMARK 500 GLN A 49 36.15 -174.47
REMARK 500 ALA A 54 124.73 -176.61
REMARK 500 ASN A 57 34.54 -98.28
REMARK 500 ASP A 60 -66.75 -122.00
REMARK 500 SER A 64 -89.28 64.67
REMARK 500 THR A 65 -50.85 -153.24
REMARK 500 GLU A 69 119.59 -168.03
REMARK 500 SER A 71 93.46 -53.15
REMARK 500 LYS A 72 -40.56 179.57
REMARK 500 TYR A 74 23.42 -141.72
REMARK 500 SER A 85 92.16 -62.83
REMARK 500 LYS A 86 33.49 -170.00
REMARK 500 ILE A 87 -67.32 -123.33
REMARK 500 ALA A 88 -72.86 -90.27
REMARK 500 SER A 91 -89.66 52.10
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 47 0.31 SIDE CHAIN
REMARK 500 ARG A 68 0.32 SIDE CHAIN
REMARK 500 ARG A 84 0.25 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1IEU RELATED DB: PDB
DBREF 1IET A -3 94 UNP P00173 CYB5_RAT 1 98
SEQRES 1 A 98 ALA GLU GLN SER ASP LYS ASP VAL LYS TYR TYR THR LEU
SEQRES 2 A 98 GLU GLU ILE GLN LYS HIS LYS ASP SER LYS SER THR TRP
SEQRES 3 A 98 VAL ILE LEU HIS HIS LYS VAL TYR ASP LEU THR LYS PHE
SEQRES 4 A 98 LEU GLU GLU HIS PRO GLY GLY GLU GLU VAL LEU ARG GLU
SEQRES 5 A 98 GLN ALA GLY GLY ASP ALA THR GLU ASN PHE GLU ASP VAL
SEQRES 6 A 98 GLY HIS SER THR ASP ALA ARG GLU LEU SER LYS THR TYR
SEQRES 7 A 98 ILE ILE GLY GLU LEU HIS PRO ASP ASP ARG SER LYS ILE
SEQRES 8 A 98 ALA LYS PRO SER GLU THR LEU
HELIX 1 1 LEU A 9 LYS A 14 1 6
HELIX 2 2 PHE A 35 GLU A 37 5 3
SHEET 1 A 2 TRP A 22 ILE A 24 0
SHEET 2 A 2 VAL A 29 ASP A 31 -1 N TYR A 30 O VAL A 23
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 - 23 202 Bytes