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- PDB-1iva: STRUCTURE-ACTIVITY RELATIONSHIPS FOR P-TYPE CALCIUM CHANNEL SELEC... -

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Basic information

Entry
Database: PDB / ID: 1iva
TitleSTRUCTURE-ACTIVITY RELATIONSHIPS FOR P-TYPE CALCIUM CHANNEL SELECTIVE OMEGA-AGATOXINS
ComponentsOMEGA-AGATOXIN-IVA
KeywordsNEUROTOXIN
Function / homology
Function and homology information


host cell presynaptic membrane / calcium channel inhibitor activity / toxin activity / extracellular region
Similarity search - Function
Spider toxin / Spider toxin / Omega-AgatoxinV - #10 / Omega-AgatoxinV / Few Secondary Structures / Irregular
Similarity search - Domain/homology
Biological speciesAgelenopsis aperta (spider)
MethodSOLUTION NMR
AuthorsReily, M.D. / Holub, K.E.
Citation
Journal: Nat.Struct.Biol. / Year: 1994
Title: Structure-activity relationships for P-type calcium channel-selective omega-agatoxins.
Authors: Reily, M.D. / Holub, K.E. / Gray, W.R. / Norris, T.M. / Adams, M.E.
#1: Journal: To be Published
Title: The Solution Structure of Omega-Aga-Ivb, a P-Type Calcium Channel Antagonist from Venom of Agelenopsis Aperta
Authors: Reily, M.D. / Thanabal, V. / Adams, M.E.
#2: Journal: Nature / Year: 1992
Title: P-Type Calcium Channels Blocked by the Spider Toxin Omega-Aga-Iva
Authors: Mintz, I.M. / Venema, V.J. / Swiderek, K.M. / Lee, T.D. / Bean, B.P. / Adams, M.E.
History
DepositionOct 27, 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 1.3Feb 23, 2022Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _pdbx_nmr_software.name
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

Downloads & links

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Assembly

Deposited unit
A: OMEGA-AGATOXIN-IVA


Theoretical massNumber of molelcules
Total (without water)5,2201
Polymers5,2201
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Atom site foot note1: THR 32 - ASN 33 MODEL 4 OMEGA = 221.36 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
2: ASN 33 - CYS 34 MODEL 4 OMEGA = 216.16 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
3: THR 32 - ASN 33 MODEL 9 OMEGA = 211.80 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
4: TRP 14 - GLY 15 MODEL 12 OMEGA = 149.94 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
5: LYS 7 - ASP 8 MODEL 13 OMEGA = 210.54 PEPTIDE BOND DEVIATES SIGNIFICANTLY FROM TRANS CONFORMATION
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)16 / -
Representative

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Components

#1: Protein/peptide OMEGA-AGATOXIN-IVA


Mass: 5220.393 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Agelenopsis aperta (spider) / References: UniProt: P30288
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 softwareName: Discover / Developer: BIOSYM TECHNOLOGIES / Classification: refinement
NMR ensembleConformers submitted total number: 16

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