Header list of 1hqi.pdb file
Complete list - r 25 2 Bytes
HEADER HYDROXYLASE 19-SEP-96 1HQI
TITLE COMPONENT P2 FROM THE MULTICOMPONENT PHENOL HYDROXYLASE, NMR, 11
TITLE 2 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PHENOL HYDROXYLASE P2 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 EC: 1.14.13.7
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.;
SOURCE 3 ORGANISM_TAXID: 79676;
SOURCE 4 STRAIN: CF600
KEYWDS AROMATIC HYDROCARBONS CATABOLISM, OXIDOREDUCTASE, MONOOXYGENASE
KEYWDS 2 FLAVOPROTEIN, FAD, IRON, HYDROXYLASE
EXPDTA SOLUTION NMR
NUMMDL 12
AUTHOR H.QIAN,I.SETHON
REVDAT 3 13-JUL-11 1HQI 1 VERSN
REVDAT 2 24-FEB-09 1HQI 1 VERSN
REVDAT 1 23-DEC-96 1HQI 0
JRNL AUTH H.QIAN,U.EDLUND,J.POWLOWSKI,V.SHINGLER,I.SETHSON
JRNL TITL SOLUTION STRUCTURE OF PHENOL HYDROXYLASE PROTEIN COMPONENT
JRNL TITL 2 P2 DETERMINED BY NMR SPECTROSCOPY.
JRNL REF BIOCHEMISTRY V. 36 495 1997
JRNL REFN ISSN 0006-2960
JRNL PMID 9012665
JRNL DOI 10.1021/BI9619233
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 1HQI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
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 : 12
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 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 2 -54.21 -162.22
REMARK 500 1 VAL A 5 -150.16 -116.66
REMARK 500 1 TYR A 6 139.82 172.78
REMARK 500 1 ASP A 11 -132.27 -87.04
REMARK 500 1 ASN A 12 -111.88 -86.42
REMARK 500 1 PRO A 27 46.23 -84.28
REMARK 500 1 HIS A 28 -39.57 -149.04
REMARK 500 1 GLN A 32 -71.73 -140.29
REMARK 500 1 HIS A 34 -64.55 -152.13
REMARK 500 1 PRO A 35 -75.30 -61.17
REMARK 500 1 ALA A 36 -93.12 -46.52
REMARK 500 1 MET A 37 -167.23 -115.46
REMARK 500 1 LYS A 44 -140.14 175.25
REMARK 500 1 ASN A 76 -141.70 -120.34
REMARK 500 1 VAL A 77 98.48 178.94
REMARK 500 1 ASP A 80 -96.37 -97.58
REMARK 500 1 ASP A 81 -60.97 -104.04
REMARK 500 1 GLU A 87 -151.84 -121.47
REMARK 500 1 TRP A 88 -78.37 -50.77
REMARK 500 1 LYS A 89 112.80 58.93
REMARK 500 2 SER A 2 -80.01 -137.08
REMARK 500 2 SER A 3 93.19 72.05
REMARK 500 2 ASN A 12 -97.09 -65.10
REMARK 500 2 ASP A 13 14.12 -152.56
REMARK 500 2 PRO A 27 45.19 -83.65
REMARK 500 2 HIS A 28 -49.06 -151.70
REMARK 500 2 VAL A 30 -169.17 -100.85
REMARK 500 2 HIS A 33 103.36 -48.49
REMARK 500 2 PRO A 35 -74.77 -67.60
REMARK 500 2 GLU A 43 68.74 -158.74
REMARK 500 2 LYS A 44 -152.11 169.82
REMARK 500 2 ARG A 49 -112.14 -100.12
REMARK 500 2 ARG A 59 35.08 110.68
REMARK 500 2 ALA A 60 96.42 62.92
REMARK 500 2 TRP A 61 82.74 -20.11
REMARK 500 2 ASP A 62 71.10 -109.20
REMARK 500 2 LEU A 67 -26.07 -38.50
REMARK 500 2 VAL A 77 30.98 -152.37
REMARK 500 2 ASP A 81 -96.60 -108.21
REMARK 500 2 ARG A 83 -107.09 -102.60
REMARK 500 2 PHE A 84 118.28 -174.74
REMARK 500 2 LEU A 86 130.56 -177.84
REMARK 500 2 GLU A 87 -151.56 -128.23
REMARK 500 2 TRP A 88 -157.55 -54.52
REMARK 500 2 LYS A 89 -155.72 -59.26
REMARK 500 3 ASP A 13 106.02 -57.52
REMARK 500 3 PRO A 27 44.90 -84.47
REMARK 500 3 HIS A 28 -53.97 -151.06
REMARK 500 3 GLN A 32 43.73 -144.29
REMARK 500 3 MET A 37 -168.99 -117.16
REMARK 500
REMARK 500 THIS ENTRY HAS 250 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1HQI A 1 90 UNP P19731 DMPM_PSESP 1 90
SEQRES 1 A 90 MET SER SER LEU VAL TYR ILE ALA PHE GLN ASP ASN ASP
SEQRES 2 A 90 ASN ALA ARG TYR VAL VAL GLU ALA ILE ILE GLN ASP ASN
SEQRES 3 A 90 PRO HIS ALA VAL VAL GLN HIS HIS PRO ALA MET ILE ARG
SEQRES 4 A 90 ILE GLU ALA GLU LYS ARG LEU GLU ILE ARG ARG GLU THR
SEQRES 5 A 90 VAL GLU GLU ASN LEU GLY ARG ALA TRP ASP VAL GLN GLU
SEQRES 6 A 90 MET LEU VAL ASP VAL ILE THR ILE GLY GLY ASN VAL ASP
SEQRES 7 A 90 GLU ASP ASP ASP ARG PHE VAL LEU GLU TRP LYS ASN
HELIX 1 1 ASN A 14 ASP A 25 1 12
HELIX 2 2 ARG A 50 GLY A 58 1 9
HELIX 3 3 ALA A 60 VAL A 68 5 9
SHEET 1 A 2 ALA A 8 GLN A 10 0
SHEET 2 A 2 VAL A 70 THR A 72 -1 N THR A 72 O ALA A 8
SHEET 1 B 2 ARG A 45 ILE A 48 0
SHEET 2 B 2 PHE A 84 GLU A 87 -1 N LEU A 86 O LEU A 46
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 25 2 Bytes