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- PDB-1g2g: MINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE ALPHA7 NE... -

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Basic information

Entry
Database: PDB / ID: 1g2g
TitleMINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE ALPHA7 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR RECOGNITION
ComponentsALPHA-CONOTOXIN IMI
KeywordsTOXIN / alpha-helix / 3-10 helix
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 / The structures were generated using the force fields parallhdg.pro, CHARMM22 of X-PLOR.
AuthorsLamthanh, H. / Jegou-Matheron, C. / Servent, D. / Menez, A. / Lancelin, J.M.
Citation
Journal: FEBS Lett. / Year: 1999
Title: Minimal conformation of the alpha-conotoxin ImI for the alpha7 neuronal nicotinic acetylcholine receptor recognition: correlated CD, NMR and binding studies.
Authors: Lamthanh, H. / Jegou-Matheron, C. / Servent, D. / Menez, A. / Lancelin, J.M.
#1: Journal: J.Biol.Chem. / Year: 1994
Title: A Nicotinic Acetylcholine Receptor Ligand of Unique Specificity, alpha-Conotoxin ImI
Authors: McIntosh, J.M. / Yoshikami, D. / Mahe, E. / Nielsen, D.B. / Rivier, J.E. / Gray, W.R. / Olivera, B.M.
#2: Journal: J.Physiol.(Paris) / Year: 1998
Title: Functional Determinants by which Snake and Cone Snail Toxins Block the alpha 7 Neuronal Nicotinic Acetylcholine Receptors
Authors: Servent, D. / Lamthanh, H. / Antil, S. / Bertrand, D. / Corringer, P.J. / Changeux, J.P. / Menez, A.
#3: Journal: J.Biol.Chem. / Year: 1998
Title: Identification of Residues in the Neuronal alpha7 Acetylcholine Receptor that Confer Selectivity for Conotoxin ImI
Authors: Quiram, P.A. / Sine, S.M.
#4: Journal: FEBS Lett. / Year: 1999
Title: NMR Spatial Structure of alpha-Conotoxin ImI Reveals a Common Scaffold in Snail and Snake Toxins Recognizing Neuronal Nicotinic Acetylcholine Receptors
Authors: Maslennikov, I.V. / Shenkarev, Z.O. / Zhmak, M.N. / Ivanov, V.T. / Methfessel, C. / Tsetlin, V.I. / Arseniev, A.S.
#5: Journal: Biochemistry / Year: 1999
Title: NMR Solution Structure of alpha-Conotoxin ImI and Comparison to other Conotoxins Specific for Neuronal Nicotinic Acetylcholine Receptors
Authors: Rogers, J.P. / Luginbuhl, P. / Shen, G.S. / McCabe, R.T. / Stevens, R.C. / Wemmer, D.E.
History
DepositionOct 19, 2000Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 8, 2000Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 23, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / 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_software.name / _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 1.4Oct 30, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: 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)30 / 60structures with the least restraint violations,structures with the lowest energy
RepresentativeModel #7closest to the average

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Components

#1: Protein/peptide ALPHA-CONOTOXIN IMI


Mass: 1356.601 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: The solid phase synthesis of alpha-conotoxin ImI was carried out using the F-moc chemistry. The sequence of the protein is naturally found in the venom of Conus imperialis (Imperial cone).
References: UniProt: P50983
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111NOESY
121DQF-COSY
NMR detailsText: This structure was determined using standard 2D homonuclear techniques.

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Sample preparation

DetailsContents: 5-6 mM alpha-ImI; 90 % H2O, 10 % D2O; 0.1 M potassium phosphate buffer pH 5.8
Solvent system: 90 % H2O, 10 % D2O; 0.1 M potassium phosphate buffer pH 5.8
Sample conditionsIonic strength: 0.1 / pH: 5.8 / Pressure: ambient / Temperature: 278 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR2.5Brukercollection
Gifa4.22Delsucdata analysis
X-PLOR3.851Brungerrefinement
RefinementMethod: The structures were generated using the force fields parallhdg.pro, CHARMM22 of X-PLOR.
Software ordinal: 1
NMR representativeSelection criteria: closest to the average
NMR ensembleConformer selection criteria: structures with the least restraint violations,structures with the lowest energy
Conformers calculated total number: 60 / Conformers submitted total number: 30

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