BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16025

Title: Solution structure of the beta-E domain of wheat Ec-1 metallothionein   PubMed: 19361445

Authors: Peroza, Estevao; Schmucki, Roland; Guntert, Peter; Freisinger, Eva; Zerbe, Oliver

Citation: Peroza, Estevao; Schmucki, Roland; Guntert, Peter; Freisinger, Eva; Zerbe, Oliver. "The beta-E-Domain of Wheat Ec-1 Metallothionein: A Metal-Binding Domain with a Distinctive Structure"  J. Mol. Biol. 387, 207-218 (2009).

Assembly members:
Ec-1 metallothionein, polymer, 53 residues, 5084.604 Da.
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: bread wheat   Taxonomy ID: 4565   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Triticum aestivum

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Ec-1 metallothionein: GEHTTCGCGEHCGCNPCACG REGTPSGRANRRANCSCGAA CNCASCGSATAPG

Data sets:
Data typeCount
15N chemical shifts50
1H chemical shifts261

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Ec-1 metallothionein1
2ZINC ION_12
3ZINC ION_22
4ZINC ION_32
5ZINC ION_42

Entities:

Entity 1, Ec-1 metallothionein 53 residues - 5084.604 Da.

Residues 52 and 53 represent additional amino acids from the intein purification tag.

1   GLYGLUHISTHRTHRCYSGLYCYSGLYGLU
2   HISCYSGLYCYSASNPROCYSALACYSGLY
3   ARGGLUGLYTHRPROSERGLYARGALAASN
4   ARGARGALAASNCYSSERCYSGLYALAALA
5   CYSASNCYSALASERCYSGLYSERALATHR
6   ALAPROGLY

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: entity_1 1.0 mM; TRIS 15.0 mM; NaCl 50.0 mM

sample_2: entity_1, [U-99% 15N], 1.0 mM; TRIS 15.0 mM; NaCl 50.0 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 bar; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1

Software:

CYANA v3.0, P. Guntert et al. - refinement, structure solution

OPALp, R. Koradi, P. Guntert, M. Billeter - refinement

NMR spectrometers:

  • Bruker Avance 700 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
EMBL CAA48348 CAA48349 CAA48350 CAA48351
GB EMS52071
SP P30569 P30570