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- PDB-2fqc: Solution structure of conotoxin pl14a -

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Basic information

Entry
Database: PDB / ID: 2fqc
TitleSolution structure of conotoxin pl14a
ComponentsAlpha/kappa-conotoxin pl14a
KeywordsTOXIN / ALPHA-HELIX / DISULFIDE BONDS
Function / homologyhost cell postsynaptic membrane / acetylcholine receptor inhibitor activity / potassium channel regulator activity / toxin activity / extracellular region / Alpha/kappa-conotoxin pl14a
Function and homology information
Biological speciesConus planorbis (invertebrata)
MethodSOLUTION NMR / torsion angle dynamics
AuthorsCraik, D.J. / Daly, N.L.
CitationJournal: Biochemistry / Year: 2006
Title: A Novel Conotoxin Inhibitor of Kv1.6 Channel and nAChR Subtypes Defines a New Superfamily of Conotoxins
Authors: Imperial, J.S. / Bansal, P.S. / Alewood, P.F. / Daly, N.L. / Craik, D.J. / Sporning, A. / Terlau, H. / Lopez-Vera, E. / Bandyopadhyay, P.K. / Olivera, B.M.
History
DepositionJan 18, 2006Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Jul 18, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Jun 24, 2020Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Source and taxonomy / Structure summary
Category: entity / entity_name_com ...entity / entity_name_com / pdbx_entity_src_syn / pdbx_nmr_software / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_assembly_prop / pdbx_struct_oper_list / struct_conn / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _entity.pdbx_description / _pdbx_entity_src_syn.ncbi_taxonomy_id ..._entity.pdbx_description / _pdbx_entity_src_syn.ncbi_taxonomy_id / _pdbx_entity_src_syn.organism_common_name / _pdbx_entity_src_syn.organism_scientific / _pdbx_entity_src_syn.pdbx_beg_seq_num / _pdbx_entity_src_syn.pdbx_end_seq_num / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Alpha/kappa-conotoxin pl14a


Theoretical massNumber of molelcules
Total (without water)2,9221
Polymers2,9221
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
Buried area110 Å2
ΔGint1 kcal/mol
Surface area2320 Å2
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 50structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide Alpha/kappa-conotoxin pl14a / Conotoxin pl14a


Mass: 2921.544 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: Chemically synthesized. This sequence occurs naturally in Conus planorbis
Source: (synth.) Conus planorbis (invertebrata) / References: UniProt: Q0N4U8

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
1212D TOCSY
131DQF-COSY
141E-COSY

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Sample preparation

DetailsContents: 1mM pl14a, pH 3; 95% H2O, 5% D2O / Solvent system: 95% H2O/5% D2O
Sample conditionspH: 3 / Pressure: ambient / Temperature: 290 K

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NMR measurement

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

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR3.5Brukercollection
XEASY1.3.7Eccles et aldata analysis
DYANA1.5Guntert et alstructure solution
CNS1.1Brunger et alstructure solution
CNS1.1Brunger et alrefinement
RefinementMethod: torsion angle dynamics / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 50 / Conformers submitted total number: 20

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