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- PDB-2ns3: Solution structure of ribbon BuIA -

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Basic information

Entry
Database: PDB / ID: 2ns3
TitleSolution structure of ribbon BuIA
ComponentsAlpha-conotoxin BuIA
KeywordsTOXIN / ribbon disulfide connectivity
Function / homology
Function and homology information


host cell postsynaptic membrane / acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region
Similarity search - Function
Conotoxin, alpha-type / Alpha conotoxin precursor / Conotoxin, alpha-type, conserved site / Alpha-conotoxin family signature.
Similarity search - Domain/homology
Alpha-conotoxin BuIA
Similarity search - Component
MethodSOLUTION NMR / simulated annealing
AuthorsJin, A.H. / Brandstaetter, H. / Nevin, S.T. / Tan, C.C. / Clark, R.J. / Adams, D.J. / Alewood, P.F. / Craik, D.J. / Daly, N.L.
CitationJournal: Bmc Struct.Biol. / Year: 2007
Title: Structure of alpha-conotoxin BuIA: influences of disulfide connectivity on structural dynamics
Authors: Jin, A.H. / Brandstaetter, H. / Nevin, S.T. / Tan, C.C. / Clark, R.J. / Adams, D.J. / Alewood, P.F. / Craik, D.J. / Daly, N.L.
History
DepositionNov 3, 2006Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Sep 25, 2007Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Mar 16, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model / _struct_conn.pdbx_leaving_atom_flag
Revision 1.3Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Alpha-conotoxin BuIA


Theoretical massNumber of molelcules
Total (without water)1,3151
Polymers1,3151
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
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-conotoxin BuIA


Mass: 1314.597 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: The peptide was chemically synthesized. The sequence of the peptide is naturally found in Conus bullatus (Bubble cone)
References: UniProt: P69657

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Experimental details

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Experiment

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

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Sample preparation

DetailsContents: 1mM ribbon BuIA; 90% H2O, 10% D2O / Solvent system: 90% H2O/10% D2O
Sample conditionspH: 4 / Pressure: ambient / Temperature: 282 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
TopSpin1.3Brukercollection
Sparky3.113Goddard Knellerdata analysis
CNS1.1refinement
RefinementMethod: simulated annealing / 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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