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- PDB-2m62: Solution Structure of a Chi/Lambda Conotoxin fron Conus araneosus -

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Basic information

Entry
Database: PDB / ID: 2m62
TitleSolution Structure of a Chi/Lambda Conotoxin fron Conus araneosus
ComponentsChi-conotoxin-like Ar1248
KeywordsTOXIN / Chi/Lambda Conotoxin / beta-hairpin / Vermivorous
Function / homologytoxin activity / extracellular region / Chi-conotoxin-like Ar1248
Function and homology information
Biological speciesConus araneosus (invertebrata)
MethodSOLUTION NMR / torsion angle dynamics
Model detailslowest energy, model1
AuthorsSarma, S.P. / Ganesan, S. / Gowd K, H. / Padmanabhan, B.
CitationJournal: To Be Published
Title: Solution Structure of Ar1248, a Chi/Lambda conotoxin from Conus araneosus
Authors: Sarma, S.P. / Kumar, G.S. / Sudarsla, S. / Sabareesh, V. / Gowd, K.H. / Gupta, K. / Krishnan, K.S. / Balaram, P.
History
DepositionMar 19, 2013Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Apr 16, 2014Provider: repository / Type: Initial release
Revision 1.1Jun 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_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_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: Chi-conotoxin-like Ar1248


Theoretical massNumber of molelcules
Total (without water)1,2531
Polymers1,2531
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)25 / 75target function
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide Chi-conotoxin-like Ar1248 / Conotoxin Ar1232


Mass: 1253.492 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Conus araneosus (invertebrata) / References: UniProt: P0CI22

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D DQF-COSY
1212D 1H-1H TOCSY
1312D 1H-1H NOESY
1412D 1H-13C HSQC

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Sample preparation

DetailsContents: 0.4 mM ar1248, methanol-1, methanol / Solvent system: methanol
SampleConc.: 0.4 mM / Component: ar1248, methanol-1
Sample conditionsPressure: ambient / Temperature: 303 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AvanceBrukerAVANCE7001
Bruker AvanceBrukerAVANCE5002

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Processing

NMR softwareName: CYANA / Classification: refinement
RefinementMethod: torsion angle dynamics / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: target function / Conformers calculated total number: 75 / Conformers submitted total number: 25 / Representative conformer: 1

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