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- PDB-1mtq: THREE-DIMENSIONAL SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID BY NM... -

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Basic information

Entry
Database: PDB / ID: 1mtq
TitleTHREE-DIMENSIONAL SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID BY NMR SPECTROSCOPY
Componentsalpha-conotoxin GID
KeywordsTOXIN / Alpha-helix
Function / homology
Function and homology information


host cell postsynaptic membrane / acetylcholine receptor inhibitor activity / ion channel regulator activity / toxin activity / extracellular region
Similarity search - Function
Conotoxin, alpha-type / Alpha conotoxin precursor / Conotoxin, alpha-type, conserved site / Alpha-conotoxin family signature.
Similarity search - Domain/homology
Biological speciessynthetic construct (others)
MethodSOLUTION NMR / Initial structures were calculated using torsion angle dynamics, structures were refined in a water shell using cartesian dynamics.
AuthorsNicke, A. / Loughnan, M.L. / Millard, E.L. / Alewood, P.F. / Adams, D.J. / Daly, N.L. / Craik, D.J. / Lewis, R.J.
CitationJournal: J.BIOL.CHEM. / Year: 2003
Title: Isolation, Structure, and Activity of GID, a Novel alpha 4/7-Conotoxin with an Extended N-terminal Sequence
Authors: Nicke, A. / Loughnan, M.L. / Millard, E.L. / Alewood, P.F. / Adams, D.J. / Daly, N.L. / Craik, D.J. / Lewis, R.J.
History
DepositionSep 22, 2002Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 11, 2003Provider: repository / Type: Initial release
Revision 1.1Apr 28, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 2.0Jun 24, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations / Source and taxonomy
Category: atom_site / pdbx_entity_src_syn ...atom_site / pdbx_entity_src_syn / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list / struct_conn / struct_ref / struct_ref_seq
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _pdbx_entity_src_syn.ncbi_taxonomy_id / _pdbx_entity_src_syn.organism_scientific / _pdbx_entity_src_syn.pdbx_beg_seq_num / _pdbx_entity_src_syn.pdbx_end_seq_num / _pdbx_nmr_software.name / _struct_conn.pdbx_leaving_atom_flag
Remark 999 An appropriate sequence database match was not found using blast.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: alpha-conotoxin GID


Theoretical massNumber of molelcules
Total (without water)2,1931
Polymers2,1931
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 50all calculated structures submitted, structures with the lowest energy
RepresentativeModel #16lowest energy

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Components

#1: Protein/peptide alpha-conotoxin GID


Mass: 2193.446 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: This sequence occurs in naturally in conus geographus venom.
Source: (synth.) synthetic construct (others)

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D TOCSY
1212D NOESY
131DQF-COSY
141E-COSY
NMR detailsText: This structure was determined using standard 2D homonuclear techniques.

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Sample preparation

DetailsContents: 2.5mM peptide; 90% H2O, 10% D2O / Solvent system: 90% H2O/10% D2O
Sample conditionsIonic strength: 0 / pH: 2.8 / Pressure: ambient / Temperature: 287 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 750 MHz

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR2.6Brukercollection
XEASY1.3.7Xia and Bartelsdata analysis
DYANA1.5Guentertstructure solution
CNS1Brunger et al.refinement
RefinementMethod: Initial structures were calculated using torsion angle dynamics, structures were refined in a water shell using cartesian dynamics.
Software ordinal: 1
Details: the structures are based on a total of 183 NOE derived distance restraints, 15 dihedral angle restraints.
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: all calculated structures submitted, structures with the lowest energy
Conformers calculated total number: 50 / Conformers submitted total number: 20

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