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- PDB-1cnl: ALPHA-CONOTOXIN IMI -

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Basic information

Entry
Database: PDB / ID: 1cnl
TitleALPHA-CONOTOXIN IMI
ComponentsPROTEIN (ALPHA-CONOTOXIN IMI)
KeywordsTOXIN / CONOTOXIN / NICOTINIC ACETYLCHOLINE RECEPTOR BLOCKER
Function / homologyConotoxin, alpha-type, conserved site / Alpha-conotoxin family signature. / host cell postsynaptic membrane / acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region / Alpha-conotoxin ImI
Function and homology information
MethodSOLUTION NMR / simulated annealing
AuthorsGehrmann, J. / Daly, N.L. / Craik, D.J.
CitationJournal: J.Med.Chem. / Year: 1999
Title: Solution structure of alpha-conotoxin ImI by 1H nuclear magnetic resonance.
Authors: Gehrmann, J. / Daly, N.L. / Alewood, P.F. / Craik, D.J.
History
DepositionMay 20, 1999Deposition site: BNL / Processing site: RCSB
Revision 1.0May 27, 1999Provider: repository / Type: Initial release
Revision 1.1Apr 26, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_spectrometer ...database_2 / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_spectrometer.model / _struct_conn.pdbx_leaving_atom_flag / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4Dec 27, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: PROTEIN (ALPHA-CONOTOXIN IMI)


Theoretical massNumber of molelcules
Total (without water)1,3571
Polymers1,3571
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)10 / 50LEAST RESTRAINT VIOLATION
Representative

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Components

#1: Protein/peptide PROTEIN (ALPHA-CONOTOXIN IMI)


Mass: 1356.601 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 IMPERIALIS.
References: UniProt: P50983

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111TOCSY
121NOESY
131COSY
141E-COSY
151HMQC

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Sample preparation

DetailsContents: 10% D2O/90% H2O
Sample conditionspH: 3.1 / Temperature: 280 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 750 MHz

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Processing

NMR software
NameVersionDeveloperClassification
X-PLOR3.85BRUNGERrefinement
X-PLORstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATION / Conformers calculated total number: 50 / Conformers submitted total number: 10

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