Header list of 1rvs.pdb file
Complete list - 7 20 Bytes
HEADER DE NOVO PROTEIN 14-DEC-03 1RVS
TITLE STRUCTURE OF TRANSTHYRETIN IN AMYLOID FIBRILS DETERMINED BY SOLID-
TITLE 2 STATE MAGIC ANGLE SPINNING NMR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TRANSTHYRETIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 1-11;
COMPND 5 SYNONYM: PREALBUMIN, TBPA;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
SOURCE 4 ORGANISM_COMMON: NORWAY RAT;
SOURCE 5 ORGANISM_TAXID: 10116;
SOURCE 6 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED BY STANDARD SOLID-PHASE
SOURCE 7 METHODS AND HPLC PURIFICATION.
KEYWDS TRANSTHYRETIN, TTR, AMYLOID, FIBRIL, DE NOVO PROTEIN
EXPDTA SOLID-STATE NMR
NUMMDL 20
AUTHOR C.P.JARONIEC,C.E.MACPHEE,V.S.BAJAJ,M.T.MCMAHON,C.M.DOBSON,R.G.GRIFFIN
REVDAT 3 07-JUL-21 1RVS 1 SOURCE REMARK
REVDAT 2 24-FEB-09 1RVS 1 VERSN
REVDAT 1 20-JAN-04 1RVS 0
JRNL AUTH C.P.JARONIEC,C.E.MACPHEE,V.S.BAJAJ,M.T.MCMAHON,C.M.DOBSON,
JRNL AUTH 2 R.G.GRIFFIN
JRNL TITL HIGH-RESOLUTION MOLECULAR STRUCTURE OF A PEPTIDE IN AN
JRNL TITL 2 AMYLOID FIBRIL DETERMINED BY MAGIC ANGLE SPINNING NMR
JRNL TITL 3 SPECTROSCOPY
JRNL REF PROC.NATL.ACAD.SCI.USA V. 101 711 2004
JRNL REFN ISSN 0027-8424
JRNL PMID 14715898
JRNL DOI 10.1073/PNAS.0304849101
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH C.P.JARONIEC,C.E.MACPHEE,N.S.ASTROF,C.M.DOBSON,R.G.GRIFFIN
REMARK 1 TITL MOLECULAR CONFORMATION OF A PEPTIDE FRAGMENT OF
REMARK 1 TITL 2 TRANSTHYRETIN IN AN AMYLOID FIBRIL
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 99 16748 2002
REMARK 1 REFN ISSN 0027-8424
REMARK 1 DOI 10.1073/PNAS.252625999
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: IN ADDITION TO EXPERIMENTAL NMR
REMARK 3 RESTRAINTS, BACKBONE CONFORMATION INDEPENDENT DATABASE-DERIVED
REMARK 3 RESTRAINTS (DUNBRACK, R.L. AND KARPLUS, M.J., J.MOL.BIOL. 1993,
REMARK 3 203:543-574) WERE USED TO UNIQUELY DEFINE THE SIDE-CHAIN
REMARK 3 CONFORMATION OF TYR AND LEU RESIDUES
REMARK 4
REMARK 4 1RVS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-DEC-03.
REMARK 100 THE DEPOSITION ID IS D_1000021071.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 275.15
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : TRANSTHYRETIN AMYLOID FIBRILS
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D-TEDOR; 2D-FS-REDOR; 3D-N-C-C
REMARK 210 -N; 3D-H-N-C-H
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : HOME-BUILT
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : RNMR
REMARK 210 METHOD USED : SIMULATED ANNEALING, MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 217
REMARK 217 SOLID STATE NMR STUDY
REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID
REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 217 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
DBREF 1RVS A 1 11 UNP P02767 TTHY_RAT 125 135
SEQRES 1 A 11 TYR THR ILE ALA ALA LEU LEU SER PRO TYR SER
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 - 7 20 Bytes