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- PDB-1vna: PROTON NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY(SLASH)SIM... -

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Basic information

Entry
Database: PDB / ID: 1vna
TitlePROTON NUCLEAR MAGNETIC RESONANCE AND DISTANCE GEOMETRY(SLASH)SIMULATED ANNEALING STUDIES ON THE VARIANT-1 NEUROTOXIN FROM THE NEW WORLD SCORPION CENTRUROIDES SCULPTURATUS EWING
ComponentsNEUROTOXIN
KeywordsNEUROTOXIN
Function / homology
Function and homology information


sodium channel inhibitor activity / defense response / toxin activity / extracellular region
Similarity search - Function
Scorpion long chain toxin / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain profile. / Scorpion long chain toxin/defensin / Scorpion toxin-like domain / Knottins / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like superfamily / Defensin A-like ...Scorpion long chain toxin / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain profile. / Scorpion long chain toxin/defensin / Scorpion toxin-like domain / Knottins / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like superfamily / Defensin A-like / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Biological speciesCentruroides sculpturatus (bark scorpion)
MethodSOLUTION NMR
AuthorsLee, W. / Krishna, N.R.
CitationJournal: Biochemistry / Year: 1994
Title: Proton nuclear magnetic resonance and distance geometry/simulated annealing studies on the variant-1 neurotoxin from the New World scorpion Centruroides sculpturatus Ewing.
Authors: Lee, W. / Jablonsky, M.J. / Watt, D.D. / Krishna, N.R.
History
DepositionOct 26, 1993Processing site: BNL
Revision 1.0Jan 31, 1994Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site
Revision 1.4Oct 9, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: NEUROTOXIN


Theoretical massNumber of molelcules
Total (without water)7,3251
Polymers7,3251
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Atom site foot note1: CIS PROLINE - PRO 59 MODEL 1 / 2: CIS PROLINE - PRO 59 MODEL 2 / 3: CIS PROLINE - PRO 59 MODEL 3 / 4: CIS PROLINE - PRO 59 MODEL 4 / 5: CIS PROLINE - PRO 59 MODEL 5 / 6: CIS PROLINE - PRO 59 MODEL 6 / 7: CIS PROLINE - PRO 59 MODEL 7 / 8: CIS PROLINE - PRO 59 MODEL 8 / 9: CIS PROLINE - PRO 59 MODEL 9 / 10: CIS PROLINE - PRO 59 MODEL 10 / 11: CIS PROLINE - PRO 59 MODEL 11 / 12: CIS PROLINE - PRO 59 MODEL 12 / 13: CIS PROLINE - PRO 59 MODEL 13 / 14: CIS PROLINE - PRO 59 MODEL 14 / 15: CIS PROLINE - PRO 59 MODEL 15 / 16: CIS PROLINE - PRO 59 MODEL 16 / 17: CIS PROLINE - PRO 59 MODEL 17 / 18: CIS PROLINE - PRO 59 MODEL 18 / 19: CIS PROLINE - PRO 59 MODEL 19 / 20: CIS PROLINE - PRO 59 MODEL 20 / 21: CIS PROLINE - PRO 59 MODEL 21 / 22: CIS PROLINE - PRO 59 MODEL 22 / 23: CIS PROLINE - PRO 59 MODEL 23 / 24: CIS PROLINE - PRO 59 MODEL 24 / 25: CIS PROLINE - PRO 59 MODEL 25 / 26: CIS PROLINE - PRO 59 MODEL 26
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)26 / -
Representative

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Components

#1: Protein NEUROTOXIN


Mass: 7325.275 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Centruroides sculpturatus (bark scorpion)
References: UniProt: P01492
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR

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Sample preparation

Crystal grow
*PLUS
Method: other / Details: NMR

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Processing

NMR ensembleConformers submitted total number: 26

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