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- PDB-1t2y: NMR solution structure of the protein part of Cu6-Neurospora crassa MT -

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Basic information

Entry
Database: PDB / ID: 1t2y
TitleNMR solution structure of the protein part of Cu6-Neurospora crassa MT
ComponentsMetallothionein
KeywordsMETAL BINDING PROTEIN / protein fold / no secondary structural elements
Function / homologyMetallothionein domain superfamily / metal ion binding / Metallothionein
Function and homology information
MethodSOLUTION NMR / the hybrid distance geometry-dynamical simulated annealing protocol
AuthorsCobine, P.A. / McKay, R.T. / Zangger, K. / Dameron, C.T. / Armitage, I.M.
CitationJournal: Eur.J.Biochem. / Year: 2004
Title: Solution structure of Cu metallothionein from the fungus Neurospora crassa
Authors: Cobine, P.A. / McKay, R.T. / Zangger, K. / Dameron, C.T. / Armitage, I.M.
History
DepositionApr 23, 2004Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 23, 2004Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.4May 22, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Metallothionein


Theoretical massNumber of molelcules
Total (without water)2,2351
Polymers2,2351
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)1 / -
RepresentativeModel #1closest to the average

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Components

#1: Protein/peptide Metallothionein / MT


Mass: 2235.421 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: The peptide was chemically synthesized. The sequence of the peptide occurs naturally in the fungus neurospora crassa.
References: UniProt: P02807

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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
NMR detailsText: This structure was determined using standard 2D homonuclear techniques

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Sample preparation

DetailsContents: 0.5 mM Neurospora crassa MT, 20 mM phosphate buffer, 0.1 mM 2,2-dimethyl-2-silapentane-5-sulfonate, 0.02% NaN3, 90% H2O, 10% D2O
Solvent system: 90% H2O/10% D2O
Sample conditionsIonic strength: 20 mM KPi / pH: 6.5 / Pressure: ambient / Temperature: 283 K

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 800 MHz

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Processing

NMR software
NameVersionClassification
NMRPipeyear 2000data analysis
X-PLOR3.851structure solution
X-PLOR3.851refinement
RefinementMethod: the hybrid distance geometry-dynamical simulated annealing protocol
Software ordinal: 1
Details: the structure was calculated with 152 NOEs and 13 dihedral angle restraints
NMR representativeSelection criteria: closest to the average
NMR ensembleConformers submitted total number: 1

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