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- PDB-2lz5: Solution structure of a Novel Alpha-Conotoxin TxIB -

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Basic information

Entry
Database: PDB / ID: 2lz5
TitleSolution structure of a Novel Alpha-Conotoxin TxIB
ComponentsConotoxin_TxIB
KeywordsTOXIN / ALPHA-CONOTOXIN / ALPHA-HELIX / DISULFIDE BONDS / AMIDATED C-TERMINUS
Function / homologyConotoxin, alpha-type / Alpha conotoxin precursor / Conotoxin, alpha-type, conserved site / Alpha-conotoxin family signature. / host cell postsynaptic membrane / acetylcholine receptor inhibitor activity / toxin activity / extracellular region / Alpha-conotoxin TxIB
Function and homology information
Biological speciesConus textile (cloth-of-gold cone)
MethodSOLUTION NMR / simulated annealing
AuthorsLuo, S. / Zhangsun, D. / Wu, Y. / Zhu, X. / Hu, Y. / McIntyre, M. / Christensen, S. / Akcan, M. / Craik, D. / McIntosh, J.
CitationJournal: J.Biol.Chem. / Year: 2013
Title: Characterization of a novel alpha-conotoxin from conus textile that selectively targets alpha6/alpha3beta2beta3 nicotinic acetylcholine receptors.
Authors: Luo, S. / Zhangsun, D. / Wu, Y. / Zhu, X. / Hu, Y. / McIntyre, M. / Christensen, S. / Akcan, M. / Craik, D.J. / McIntosh, J.M.
History
DepositionSep 23, 2012Deposition site: BMRB / Processing site: RCSB
Revision 1.0Dec 5, 2012Provider: repository / Type: Initial release
Revision 1.1Dec 12, 2012Group: Database references
Revision 1.2Jun 19, 2013Group: Database references
Revision 1.3Jun 14, 2023Group: 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_nmr_spectrometer / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_nmr_data / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model / _struct_conn.pdbx_leaving_atom_flag
Revision 1.4Nov 20, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature
Item: _database_2.pdbx_DOI / _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Conotoxin_TxIB


Theoretical massNumber of molelcules
Total (without water)1,7461
Polymers1,7461
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 / 50target function
RepresentativeModel #1fewest violations

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Components

#1: Protein/peptide Conotoxin_TxIB


Mass: 1746.025 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Conus textile (cloth-of-gold cone) / References: UniProt: K4RNX9*PLUS
Has protein modificationY
Sequence detailsTHE TXIB SEQUENCE (152 BP) HAS BEEN SUBMITTED TO THE EMBL NUCLEOTIDE DATABASE AND WAS ACCEPTED WITH ...THE TXIB SEQUENCE (152 BP) HAS BEEN SUBMITTED TO THE EMBL NUCLEOTIDE DATABASE AND WAS ACCEPTED WITH ACCESSION NUMBER HE995411.

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D 1H-1H TOCSY
1212D 1H-1H NOESY
1312D DQF-COSY

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Sample preparation

DetailsContents: 3 mg/mL Conotoxin, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O
SampleConc.: 3 mg/mL / Component: Conotoxin-1
Sample conditionspH: 3.5 / Pressure: 1 atm / Temperature: 280 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
NameDeveloperClassification
CYANAGuntert, Mumenthaler and Wuthrichstructure solution
CNSSOLVEBrunger, Adams, Clore, Gros, Nilges and Readrefinement
MolProbityRichardsonstructure validation
RefinementMethod: simulated annealing / Software ordinal: 1
NMR constraintsProtein phi angle constraints total count: 7
NMR representativeSelection criteria: fewest violations
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 50 / Conformers submitted total number: 20

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