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- PDB-1roo: NMR SOLUTION STRUCTURE OF SHK TOXIN, NMR, 20 STRUCTURES -

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Basic information

Entry
Database: PDB / ID: 1roo
TitleNMR SOLUTION STRUCTURE OF SHK TOXIN, NMR, 20 STRUCTURES
ComponentsSHK TOXIN
KeywordsPOTASSIUM CHANNEL INHIBITOR / NEUROTOXIN
Function / homologyShKT domain / ShKT domain profile. / nematocyst / potassium channel regulator activity / toxin activity / defense response to bacterium / extracellular region / Kappa-stichotoxin-She3a
Function and homology information
Biological speciesStichodactyla helianthus (sea anemone)
MethodSOLUTION NMR
AuthorsTudor, J.E. / Pallaghy, P.K. / Pennington, M.W. / Norton, R.S.
Citation
Journal: Nat.Struct.Biol. / Year: 1996
Title: Solution structure of ShK toxin, a novel potassium channel inhibitor from a sea anemone.
Authors: Tudor, J.E. / Pallaghy, P.K. / Pennington, M.W. / Norton, R.S.
#1: Journal: Lett.Pept.Sci. / Year: 1995
Title: Assignment of the Three Disulfide Bonds in Shk Toxin: A Potent Potassium Channel Inhibitor from the Sea Anemone Stichodactyla Helianthus
Authors: Pohl, J. / Hubalek, F. / Byrnes, M.E. / Nielsen, K.R. / Woods, A. / Pennington, M.W.
#2: Journal: Int.J.Pept.Protein Res. / Year: 1995
Title: Chemical Synthesis and Characterization of Shk Toxin: A Potent Potassium Channel Inhibitor from a Sea Anemone
Authors: Pennington, M.W. / Byrnes, M.E. / Zaydenberg, I. / Khaytin, I. / De Chastonay, J. / Krafte, D.S. / Hill, R. / Mahnir, V.M. / Volberg, W.A. / Gorczyca, W.
History
DepositionJan 11, 1996Processing site: BNL
Revision 1.0Jan 27, 1997Provider: 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 / struct_conf_type
Item: _pdbx_database_status.process_site
Revision 1.4Nov 6, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: SHK TOXIN


Theoretical massNumber of molelcules
Total (without water)4,0701
Polymers4,0701
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 SHK TOXIN / SHKTX


Mass: 4069.892 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Stichodactyla helianthus (sea anemone) / References: UniProt: P29187
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR

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Sample preparation

Sample conditionspH: 4.8 / Temperature: 293 K
Crystal grow
*PLUS
Method: other / Details: NMR

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Processing

Software
NameVersionClassification
X-PLOR3.1model building
X-PLOR3.1refinement
X-PLOR3.1phasing
NMR softwareName: X-PLOR / Version: 3.1 / Developer: BRUNGER / Classification: refinement
NMR ensembleConformers submitted total number: 20

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