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- PDB-2jtu: NMR structure of iota-RXIA(38) -

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Basic information

Entry
Database: PDB / ID: 2jtu
TitleNMR structure of iota-RXIA(38)
ComponentsI-superfamily conotoxin r11a
KeywordsTOXIN / iota-RXIA / Bromination / D-amino acid / Hydroxylation / Neurotoxin / Secreted
Function / homologyConotoxin I-superfamily / Conotoxin I-superfamily / Conotoxin-I, conserved site / I-superfamily conotoxin signature. / sodium channel regulator activity / toxin activity / extracellular region / Iota-conotoxin RXIA
Function and homology information
MethodSOLUTION NMR / simulated annealing
AuthorsWei, D. / Norton, R.
CitationJournal: To be Published
Title: NMR structure of iota-RXIA(38)
Authors: Wei, D. / Norton, R.
History
DepositionAug 6, 2007Deposition site: BMRB / Processing site: RCSB
Revision 1.0Aug 19, 2008Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Mar 16, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly ...database_2 / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
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Assembly

Deposited unit
A: I-superfamily conotoxin r11a


Theoretical massNumber of molelcules
Total (without water)4,0891
Polymers4,0891
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 / 100structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide I-superfamily conotoxin r11a / R11.6


Mass: 4088.646 Da / Num. of mol.: 1 / Source method: obtained synthetically / References: UniProt: Q7Z094

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Experimental details

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Experiment

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

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Sample preparation

DetailsContents: 0.6 mM iota-RXIA, 95% H2O/5% D2O / Solvent system: 95% H2O/5% D2O
SampleConc.: 0.6 mM / Component: iota-RXIA
Sample conditionspH: 5.9 / Pressure: ambient / Temperature: 298 K

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NMR measurement

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

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Processing

NMR softwareName: CNS / Developer: Brunger A. T. et.al. / Classification: refinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 20

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