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- PDB-1ahl: ANTHOPLEURIN-A,NMR, 20 STRUCTURES -

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Basic information

Entry
Database: PDB / ID: 1ahl
TitleANTHOPLEURIN-A,NMR, 20 STRUCTURES
ComponentsANTHOPLEURIN-A
KeywordsNEUROTOXIN / CARDIAC STIMULANT
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-actitoxin-Axm1a
Similarity search - Component
Biological speciesAnthopleura xanthogrammica (giant green sea anemone)
MethodSOLUTION NMR
AuthorsPallaghy, P.K. / Scanlon, M.J. / Monks, S.A. / Norton, R.S.
Citation
Journal: Biochemistry / Year: 1995
Title: Three-dimensional structure in solution of the polypeptide cardiac stimulant anthopleurin-A.
Authors: Pallaghy, P.K. / Scanlon, M.J. / Monks, S.A. / Norton, R.S.
#1: Journal: Toxicon / Year: 1991
Title: Structure and Structure-Function Relationships of Sea Anemone Proteins that Interact with the Sodium Channel
Authors: Norton, R.S.
#2: Journal: FEBS Lett. / Year: 1988
Title: Backbone Folding of the Polypeptide Cardiac Stimulant Anthopleurin-A Determined by Nuclear Magnetic Resonance, Distance Geometry and Molecular Dynamics
Authors: Torda, A.E. / Mabbutt, B.C. / Van Gunsteren, W.F. / Norton, R.S.
#3: Journal: Biochemistry / Year: 1977
Title: Amino Acid Sequence of the Anthopleura Xanthogrammica Heart Stimulant Anthopleurin-A
Authors: Tanaka, M. / Haniu, M. / Yasunobu, M. / Norton, T.R.
History
DepositionOct 28, 1994Processing site: BNL
Revision 1.0Nov 14, 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 / struct_conf / Item: _pdbx_database_status.process_site
Revision 1.4Nov 20, 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

Downloads & links

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Assembly

Deposited unit
A: ANTHOPLEURIN-A


Theoretical massNumber of molelcules
Total (without water)5,1431
Polymers5,1431
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 41 MODEL 1 / 2: CIS PROLINE - PRO 41 MODEL 2 / 3: CIS PROLINE - PRO 41 MODEL 3 / 4: CIS PROLINE - PRO 41 MODEL 4 / 5: CIS PROLINE - PRO 41 MODEL 5 / 6: CIS PROLINE - PRO 41 MODEL 6 / 7: CIS PROLINE - PRO 41 MODEL 7 / 8: CIS PROLINE - PRO 41 MODEL 8 / 9: CIS PROLINE - PRO 41 MODEL 9 / 10: CIS PROLINE - PRO 41 MODEL 10 / 11: CIS PROLINE - PRO 41 MODEL 11 / 12: CIS PROLINE - PRO 41 MODEL 12
13: GLY 40 - PRO 41 MODEL 13 OMEGA = 33.66 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
14: CIS PROLINE - PRO 41 MODEL 14 / 15: CIS PROLINE - PRO 41 MODEL 15 / 16: CIS PROLINE - PRO 41 MODEL 16 / 17: CIS PROLINE - PRO 41 MODEL 17 / 18: CIS PROLINE - PRO 41 MODEL 18 / 19: CIS PROLINE - PRO 41 MODEL 19 / 20: CIS PROLINE - PRO 41 MODEL 20
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / -
Representative

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Components

#1: Protein/peptide ANTHOPLEURIN-A / AP-A


Mass: 5142.812 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Anthopleura xanthogrammica (giant green sea anemone)
References: UniProt: P01530
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: 300 K
Crystal grow
*PLUS
Method: other

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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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