Header list of 1l3q.pdb file
Complete list - 23 202 Bytes
HEADER STRUCTURAL PROTEIN 28-FEB-02 1L3Q
TITLE H. RUFESCENS ABALONE SHELL LUSTRIN A CONSENSUS REPEAT, FPGKNVNCTSGE,
TITLE 2 PH 7.4, 1-H NMR STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LUSTRIN A;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: LUSTRIN A CONSENSUS REPEAT, RESIDUES 142-153;
COMPND 5 SYNONYM: ARAGONITE-ASSOCIATED PROTEIN;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: NACRE LAYER
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS (FMOC). OCCURS
SOURCE 4 NATURALLY IN HALIOTIS RUFESCENS, CALIFORNIA RED ABALONE
KEYWDS LOOP, STRUCTURAL PROTEIN
EXPDTA SOLUTION NMR
AUTHOR J.S.EVANS,B.A.WUSTMAN,B.ZHANG,D.E.MORSE
REVDAT 4 23-FEB-22 1L3Q 1 REMARK
REVDAT 3 24-FEB-09 1L3Q 1 VERSN
REVDAT 2 26-APR-05 1L3Q 1 JRNL REMARK
REVDAT 1 15-MAR-02 1L3Q 0
JRNL AUTH B.ZHANG,B.A.WUSTMAN,D.E.MORSE,J.S.EVANS
JRNL TITL MODEL PEPTIDE STUDIES OF SEQUENCE REGIONS IN THE ELASTOMERIC
JRNL TITL 2 BIOMINERALIZATION PROTEIN, LUSTRIN A. I. THE C-DOMAIN
JRNL TITL 3 CONSENSUS-PG-, -NVNCT-MOTIF
JRNL REF BIOPOLYMERS V. 63 358 2002
JRNL REFN ISSN 0006-3525
JRNL PMID 11920437
JRNL DOI 10.1002/BIP.10069
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DISCOVER 3.0
REMARK 3 AUTHORS : HAGLER, OSGUTHORPE
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 STRUCTURE BASED ON 42 RESTRAINTS, 33 NOE DISTANCE CONSTRAINTS, 9
REMARK 3 DIHEDRAL ANGLE RESTRAINTS. SIMULATED
REMARK 3 ANNEALING/MINIMIZATION WITH IMPLICIT SOLVENT ELECTROSTATICS
REMARK 4
REMARK 4 1L3Q COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-MAR-02.
REMARK 100 THE DEPOSITION ID IS D_1000015616.
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 : 1 MM SODIUM PHOSPHATE, PH 7.4
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : PFG ROESY; PE-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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 ASN A 7 -69.30 -137.02
REMARK 500 SER A 10 -60.44 -122.75
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1L3Q A 1 12 PDB 1L3Q 1L3Q 1 12
SEQRES 1 A 12 PHE PRO GLY LYS ASN VAL ASN CYS THR SER GLY GLU
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