Header list of 1du1.pdb file
Complete list - 16 202 Bytes
HEADER SIGNALING PROTEIN 13-JAN-00 1DU1
TITLE PEPTIDE FRAGMENT THR671-LEU690 OF THE RABBIT SKELETAL DIHYDROPYRIDINE
TITLE 2 RECEPTOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SKELETAL DIHYDROPYRIDINE RECEPTOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: II-III LOOP REGION, FRAGMENT THR671-LEU690 A1;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THIS PEPTIDE NATURALLY OCCURS IN RABBIT (ORYCTOLAGUS CUNICULUS)
KEYWDS DIHYDROPYRIDINE RECEPTOR, RYANODINE RECEPTOR, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
AUTHOR M.CASAROTTO,A.DULHUNTY
REVDAT 4 16-FEB-22 1DU1 1 REMARK
REVDAT 3 24-FEB-09 1DU1 1 VERSN
REVDAT 2 01-APR-03 1DU1 1 JRNL
REVDAT 1 19-JUL-00 1DU1 0
JRNL AUTH M.G.CASAROTTO,F.GIBSON,S.M.PACE,S.M.CURTIS,M.MULCAIR,
JRNL AUTH 2 A.F.DULHUNTY
JRNL TITL A STRUCTURAL REQUIREMENT FOR ACTIVATION OF SKELETAL
JRNL TITL 2 RYANODINE RECEPTORS BY PEPTIDES OF THE DIHYDROPYRIDINE
JRNL TITL 3 RECEPTOR II-III LOOP.
JRNL REF J.BIOL.CHEM. V. 275 11631 2000
JRNL REFN ISSN 0021-9258
JRNL PMID 10766780
JRNL DOI 10.1074/JBC.275.16.11631
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.F.DULHUNTY,D.R.LAVER,E.M.GALLANT,M.G.CASAROTTO,S.M.PACE,
REMARK 1 AUTH 2 S.CURTIS,S.PACE,S.CURTIS,M.MULCAIR
REMARK 1 TITL ACTIVATION AND INHIBITION OF SKELETAL RYR CHANNELS BY A PART
REMARK 1 TITL 2 OF THE SKELETAL DHPR II-III LOOP: EFFECTS OF DHPR SER687 AND
REMARK 1 TITL 3 FKBP12
REMARK 1 REF BIOPHYS.J. V. 77 189 1999
REMARK 1 REFN ISSN 0006-3495
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 223 RESTRAINTS, 212 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 7
REMARK 3 DIHEDRAL ANGLE RESTRAINTS AND 4 DISTANCE CONSTRAINTS DERIVED
REMARK 3 FROM HYDROGEN BONDS
REMARK 4
REMARK 4 1DU1 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-JAN-00.
REMARK 100 THE DEPOSITION ID IS D_1000010366.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 278
REMARK 210 PH : 5.0
REMARK 210 IONIC STRENGTH : 0
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 4 MM PEPTIDE, NO BUFFER
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
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 : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERNINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O ARG A 13 H LYS A 15 1.51
REMARK 500 O ARG A 18 H LEU A 20 1.53
REMARK 500
REMARK 500 REMARK: NULL
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 ALA A 8 33.95 -91.80
REMARK 500 GLU A 9 -35.24 -163.72
REMARK 500 GLU A 10 37.14 -75.37
REMARK 500 ARG A 13 53.78 35.64
REMARK 500 ARG A 14 61.54 -62.77
REMARK 500 LYS A 15 92.41 51.38
REMARK 500 MET A 16 177.86 -48.18
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 13 0.18 SIDE CHAIN
REMARK 500 ARG A 14 0.17 SIDE CHAIN
REMARK 500 ARG A 18 0.21 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1DU1 A 1 20 UNP P07293 CAC1S_RABIT 671 690
SEQRES 1 A 20 THR SER ALA GLN LYS ALA LYS ALA GLU GLU ARG LYS ARG
SEQRES 2 A 20 ARG LYS MET SER ARG GLY LEU
HELIX 1 1 THR A 1 ALA A 8 1 8
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 - 16 202 Bytes