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- PDB-2cco: STRUCTURE OF THE CALCIUM CHANNEL BLOCKER OMEGA CONOTOXIN GVIA, NM... -

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Basic information

Entry
Database: PDB / ID: 2cco
TitleSTRUCTURE OF THE CALCIUM CHANNEL BLOCKER OMEGA CONOTOXIN GVIA, NMR, 20 STRUCTURES
ComponentsOMEGA-CONOTOXIN GVIA
KeywordsTOXIN / CONOTOXIN / CYSTINE KNOT / INHIBITOR CYSTINE KNOT MOTIF / CALCIUM CHANNEL BLOCKER / CONE-SHELL
Function / homology
Function and homology information


host cell presynaptic membrane / ion channel inhibitor activity / calcium channel regulator activity / toxin activity / extracellular region
Similarity search - Function
Conotoxin, omega-type, conserved site / Omega-conotoxin family signature. / Conotoxin / Conotoxin
Similarity search - Domain/homology
Omega-conotoxin GVIA
Similarity search - Component
Biological speciesConus geographus (geography cone)
MethodSOLUTION NMR / RESTRAINED SIMULATED ANNEALING
AuthorsPallaghy, P.K. / Norton, R.S.
CitationJournal: J.Pept.Res. / Year: 1999
Title: Refined solution structure of omega-conotoxin GVIA: implications for calcium channel binding
Authors: Pallaghy, P.K. / Norton, R.S.
History
DepositionFeb 13, 1998Processing site: BNL
SupersessionJul 15, 1998ID: 1CCO
Revision 1.0Jul 15, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 9, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details / _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: OMEGA-CONOTOXIN GVIA


Theoretical massNumber of molelcules
Total (without water)3,0461
Polymers3,0461
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 50TOTAL, NOE & DIHEDRAL ENERGY
RepresentativeModel #1

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Components

#1: Protein/peptide OMEGA-CONOTOXIN GVIA


Mass: 3046.424 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Conus geographus (geography cone) / Organ: VENOM GLAND / References: UniProt: P01522

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
121TOCSY
131DQF
141AMIDE EXCHANGE

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Sample preparation

DetailsContents: H2O
Sample conditionspH: 3.4 / Temperature: 299 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DRX 600 / Manufacturer: Bruker / Model: DRX 600 / Field strength: 600 MHz

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Processing

Software
NameVersionClassification
X-PLOR3model building
X-PLOR3refinement
X-PLOR3phasing
NMR software
NameVersionDeveloperClassification
X-PLOR3BRUNGERrefinement
DYANA/X-PLORstructure solution
RefinementMethod: RESTRAINED SIMULATED ANNEALING / Software ordinal: 1 / Details: RESTRAINED SIMULATED ANNEALING OF DIANA STRUCTURES
NMR ensembleConformer selection criteria: TOTAL, NOE & DIHEDRAL ENERGY / Conformers calculated total number: 50 / Conformers submitted total number: 20

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