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- PDB-1shi: REFINED STRUCTURE IN SOLUTION OF THE SEA ANEMONE NEUROTOXIN SHI -

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Entry
Database: PDB / ID: 1shi
TitleREFINED STRUCTURE IN SOLUTION OF THE SEA ANEMONE NEUROTOXIN SHI
ComponentsNEUROTOXIN I
KeywordsNEUROTOXIN
Function / homology
Function and homology information


nematocyst / sodium channel regulator activity / regulation of signal transduction / toxin activity / extracellular region
Similarity search - Function
Sea anemone toxin / Anenome neurotoxin / Anthopleurin-A / Myotoxin/Anemone neurotoxin domain superfamily / Anthopleurin-A / Single Sheet / Mainly Beta
Similarity search - Domain/homology
Delta-stichotoxin-She1a
Similarity search - Component
Biological speciesStichodactyla helianthus (sea anemone)
MethodSOLUTION NMR
AuthorsPallaghy, P.K. / Dyke, T.R. / Norton, R.S.
Citation
Journal: J.Biol.Chem. / Year: 1993
Title: Refined structure in solution of the sea anemone neurotoxin ShI.
Authors: Wilcox, G.R. / Fogh, R.H. / Norton, R.S.
#1: Journal: Biochemistry / Year: 1994
Title: Three-Dimensional Structure in Solution of Neurotoxin III from the Sea Anemone Anemonia Sulcata
Authors: Manoleras, N. / Norton, R.S.
#2: Journal: Toxicon / Year: 1991
Title: Structure and Structure-Function Relationships of Sea Anemone Proteins that Interact with the Sodium Channel
Authors: Norton, R.S.
#3: Journal: J.Biol.Chem. / Year: 1990
Title: Solution Structure of Neurotoxin I from the Sea Anemone Stichodactyla Helianthus. A Nuclear Magnetic Resonance, Distance Geometry, and Restrained Molecular Dynamics Study
Authors: Fogh, R.H. / Kem, W.R. / Norton, R.S.
History
DepositionDec 7, 1994Processing site: BNL
Revision 1.0Feb 7, 1995Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 29, 2017Group: Derived calculations / Other
Category: pdbx_database_status / pdbx_struct_assembly ...pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conf
Item: _pdbx_database_status.process_site
Revision 1.4Oct 9, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: NEUROTOXIN I


Theoretical massNumber of molelcules
Total (without water)5,1481
Polymers5,1481
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / -
Representative

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Components

#1: Protein/peptide NEUROTOXIN I


Mass: 5147.887 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Stichodactyla helianthus (sea anemone) / References: UniProt: P19651
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

Software
NameClassification
X-PLORmodel building
X-PLORrefinement
X-PLORphasing
NMR softwareName: X-PLOR / Developer: BRUNGER / Classification: refinement
NMR ensembleConformers submitted total number: 20

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