Header list of 1vnb.pdb file
Complete list - 2 202 Bytes
HEADER NEUROTOXIN 26-OCT-93 1VNB
TITLE PROTON NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY(SLASH)
TITLE 2 SIMULATED ANNEALING STUDIES ON THE VARIANT-1 NEUROTOXIN FROM THE NEW
TITLE 3 WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NEUROTOXIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: CENTRUROIDES SCULPTURATUS;
SOURCE 3 ORGANISM_COMMON: BARK SCORPION;
SOURCE 4 ORGANISM_TAXID: 218467
KEYWDS NEUROTOXIN
EXPDTA SOLUTION NMR
AUTHOR W.LEE,N.R.KRISHNA
REVDAT 3 02-MAR-22 1VNB 1 REMARK
REVDAT 2 24-FEB-09 1VNB 1 VERSN
REVDAT 1 31-JAN-94 1VNB 0
JRNL AUTH W.LEE,M.J.JABLONSKY,D.D.WATT,N.R.KRISHNA
JRNL TITL PROTON NUCLEAR MAGNETIC RESONANCE AND DISTANCE
JRNL TITL 2 GEOMETRY/SIMULATED ANNEALING STUDIES ON THE VARIANT-1
JRNL TITL 3 NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES
JRNL TITL 4 SCULPTURATUS EWING.
JRNL REF BIOCHEMISTRY V. 33 2468 1994
JRNL REFN ISSN 0006-2960
JRNL PMID 8117707
JRNL DOI 10.1021/BI00175A015
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1VNB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000177069.
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 : 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 5 176.86 -49.30
REMARK 500 SER A 9 -77.56 -51.56
REMARK 500 PHE A 17 -76.46 -126.79
REMARK 500 GLN A 34 -59.80 -122.00
REMARK 500 TYR A 40 -164.54 -162.52
REMARK 500 ALA A 43 -57.83 84.95
REMARK 500 PHE A 44 18.71 -165.49
REMARK 500 PRO A 52 -169.82 -64.17
REMARK 500 PRO A 59 -176.27 -68.91
REMARK 500 SER A 64 77.14 -150.95
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1VNA RELATED DB: PDB
DBREF 1VNB A 1 65 UNP P01492 SCX1_CENSC 1 65
SEQRES 1 A 65 LYS GLU GLY TYR LEU VAL LYS LYS SER ASP GLY CYS LYS
SEQRES 2 A 65 TYR ASP CYS PHE TRP LEU GLY LYS ASN GLU HIS CYS ASN
SEQRES 3 A 65 THR GLU CYS LYS ALA LYS ASN GLN GLY GLY SER TYR GLY
SEQRES 4 A 65 TYR CYS TYR ALA PHE ALA CYS TRP CYS GLU GLY LEU PRO
SEQRES 5 A 65 GLU SER THR PRO THR TYR PRO LEU PRO ASN LYS SER CYS
HELIX 1 1 HIS A 24 ALA A 31 1 8
SHEET 1 A 3 GLU A 2 TYR A 4 0
SHEET 2 A 3 CYS A 46 GLU A 49 -1 N CYS A 48 O GLY A 3
SHEET 3 A 3 TYR A 38 CYS A 41 -1 O TYR A 38 N GLU A 49
SSBOND 1 CYS A 12 CYS A 65 1555 1555 2.02
SSBOND 2 CYS A 16 CYS A 41 1555 1555 2.02
SSBOND 3 CYS A 25 CYS A 46 1555 1555 2.02
SSBOND 4 CYS A 29 CYS A 48 1555 1555 2.02
CISPEP 1 TYR A 58 PRO A 59 0 -6.19
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 - 2 202 Bytes