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- PDB-1feo: Solution structure of omega-conotoxin MVIIA with C-terminal Gly -

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Basic information

Entry
Database: PDB / ID: 1feo
TitleSolution structure of omega-conotoxin MVIIA with C-terminal Gly
ComponentsOMEGA-CONOTOXIN MVIIA-GLY
KeywordsTOXIN / beta sheet / disulfide knot
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 MVIIA
Similarity search - Component
MethodSOLUTION NMR / simulated annealing in torsion angle space
AuthorsGoldenberg, D.P. / Koehn, R.E. / Gilbert, D.E. / Wagner, G.
Citation
Journal: Protein Sci. / Year: 2001
Title: Solution structure and backbone dynamics of an omega-conotoxin precursor
Authors: Goldenberg, D.P. / Koehn, R.E. / Gilbert, D.E. / Wagner, G.
#1: Journal: Biochemistry / Year: 1996
Title: Folding of omega-conotoxins. 2. Influence of precursor sequences and protein disulfide isomerase
Authors: Price-Carter, M. / Gray, W.R. / Goldenberg, D.P.
History
DepositionJul 21, 2000Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 23, 2000Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Nov 3, 2021Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly ...database_2 / pdbx_struct_assembly / pdbx_struct_oper_list / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details
Revision 1.4Oct 16, 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

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Assembly

Deposited unit
A: OMEGA-CONOTOXIN MVIIA-GLY


Theoretical massNumber of molelcules
Total (without water)2,7091
Polymers2,7091
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 / 50target function
RepresentativeModel #9closest to the average

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Components

#1: Protein/peptide OMEGA-CONOTOXIN MVIIA-GLY


Mass: 2709.268 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: Chemically synthesized sequence based on c-DNA from Conus magus. 15N-labeled sample was produced in Escherichia coli using a synthetic gene.
References: UniProt: P05484
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
1223D 15N-separated NOESY
132HNHA
142HNHB

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Sample preparation

Details
Solution-IDContentsSolvent system
12 mM omega-MVIIA-Gly93% H2O, 7% D20
22 mM omega-MVIIA-Gly U-15N93% H2O, 7% D20
Sample conditionspH: 6 / Pressure: ambient / Temperature: 283 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian UNITYPLUSVarianUNITYPLUS7501
Bruker AMXBrukerAMX5002
Bruker AMXBrukerAMX6003

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Processing

NMR software
NameVersionDeveloperClassification
NMRPipeDelaglio et al.processing
XEASY1.2Bartels et al.data analysis
DYANA1.3Guntert et alstructure solution
DYANA1.3Guntert et alrefinement
RefinementMethod: simulated annealing in torsion angle space / Software ordinal: 1
Details: The structures are based on 249 non-reduncant NOE-derived distance restraints, 9 distance restraints from the three disulfide bonds, 16 distance restraints from hydrogen bonds, 19 dihedral angle restraints.
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 50 / Conformers submitted total number: 20

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