Header list of 1r02.pdb file
Complete list - 9 201 Bytes
HEADER NEUROPEPTIDE 19-SEP-03 1R02
TITLE SOLUTION STRUCTURE OF HUMAN OREXIN-A:REGULATOR OF APPETITE AND
TITLE 2 WAKEFULNESS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: OREXIN-A;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: HYPOCRETIN-1;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 4 ORGANISM_COMMON: HUMAN;
SOURCE 5 ORGANISM_TAXID: 9606
KEYWDS TURN, HELIX-LOOP-HELIX, NEUROPEPTIDE
EXPDTA SOLUTION NMR
AUTHOR H.-Y.KIM,E.HONG,J.-I.KIM,W.LEE
REVDAT 4 09-OCT-19 1R02 1 SOURCE JRNL REMARK
REVDAT 3 24-FEB-09 1R02 1 VERSN
REVDAT 2 24-JAN-06 1R02 1 JRNL
REVDAT 1 19-SEP-04 1R02 0
JRNL AUTH H.Y.KIM,E.HONG,J.I.KIM,W.LEE
JRNL TITL SOLUTION STRUCTURE OF HUMAN OREXIN-A: REGULATOR OF APPETITE
JRNL TITL 2 AND WAKEFULNESS.
JRNL REF J.BIOCHEM.MOL.BIOL. V. 37 565 2004
JRNL REFN ISSN 1225-8687
JRNL PMID 15479620
JRNL DOI 10.5483/BMBREP.2004.37.5.565
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.0, CNS 1.0
REMARK 3 AUTHORS : BRUNGER (CNS), BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1R02 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-SEP-03.
REMARK 100 THE DEPOSITION ID IS D_1000020279.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 278
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 50MM K2HPO4
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2MM OREXIN-A; 50MM PHOSPHATE
REMARK 210 BUFFER; 90% H2O, 10% D2O; 2MM
REMARK 210 OREXIN-A; 50MM PHOSPHATE BUFFER;
REMARK 210 100% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.0, NMRPIPE 1.7, SPARKY
REMARK 210 3.60
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING, MOLECULAR DYNAMICS
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 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 LEU A 3 163.12 60.04
REMARK 500 ASP A 5 90.64 -49.45
REMARK 500 CYS A 7 72.50 62.73
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1CQ0 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF A HUMAN HYPOCRETIN-2/OREXIN-B
DBREF 1R02 A 1 33 UNP O43612 OREX_HUMAN 34 66
SEQRES 1 A 33 GLN PRO LEU PRO ASP CYS CYS ARG GLN LYS THR CYS SER
SEQRES 2 A 33 CYS ARG LEU TYR GLU LEU LEU HIS GLY ALA GLY ASN HIS
SEQRES 3 A 33 ALA ALA GLY ILE LEU THR LEU
HELIX 1 1 SER A 13 GLY A 22 1 10
HELIX 2 2 GLY A 24 THR A 32 1 9
SSBOND 1 CYS A 6 CYS A 12 1555 1555 2.03
SSBOND 2 CYS A 7 CYS A 14 1555 1555 2.03
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 - 9 201 Bytes