BMRB Entry 17295

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17295
MolProbity Validation Chart

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Title:
Protein and metal cluster structure of the wheat metallothionein domain g-Ec-1. The second part of the puzzle.
Deposition date:
2010-11-12
Original release date:
2011-03-28
Authors:
Loebus, J.; Peroza, E.; Bluethgen, N.; Fox, T.; Meyer-Klaucke, W.; Zerbe, O.; FREISINGER, E.
Citation:

Citation: Loebus, Jens; Peroza, Estevao; Bluthgen, Nancy; Fox, Thomas; Meyer-Klaucke, Wolfram; Zerbe, Oliver; Freisinger, Eva. "Protein and metal cluster structure of the wheat metallothionein domain -E(c)-1: the second part of the puzzle."  J. Biol. Inorg. Chem. 16, 683-694 (2011).
PubMed: 21437709

Assembly members:

Assembly members:
EC_PROTEIN_I/II, polymer, 26 residues, 2464.794 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Canadian hard wheat, common wheat, wheat   Taxonomy ID: 4565   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Triticum aestivum

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: ESCHERICHIA COLI   Vector: PGEX-4T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
EC_PROTEIN_I/II: GSGCDDKCGCAVPCPGGTGC RCTSAR

Data sets:
Data typeCount
15N chemical shifts21
1H chemical shifts120

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1EC PROTEIN I/II1
2ZINC ION_12
3ZINC ION_22

Entities:

Entity 1, EC PROTEIN I/II 26 residues - 2464.794 Da.

1   GLYSERGLYCYSASPASPLYSCYSGLYCYS
2   ALAVALPROCYSPROGLYGLYTHRGLYCYS
3   ARGCYSTHRSERALAARG

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: EC PROTEIN I/II, [U-99% 15N], 1.0 mM; TRIS, [U-98% 2H], 15 mM; D2O, [U-99% 2H], 10%; NaCl 50 mM; H2O 90%

sample_conditions_1: ionic strength: 50 mM; pH: 6.9; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CYANA v3.0, P.GUNTERT ET AL. (CYANA), R. KORADI, P. GUNTERT, M. BILLETER (OPALP) - structure solution

OPALP, Luginb hl and Wuthrich - refinement

XEASY v1.2, Bartels C, Xia TH, Billeter M, Guentert P, Wuethrich K - data analysis

NMR spectrometers:

  • BRUKER AVANCE 700 MHz
  • Bruker Avance 600 MHz
  • Bruker DRX 500 MHz

Related Database Links:

BMRB 17294
PDB
DBJ BAK06800
EMBL CAA48349 CAA48350 CAD88267
GB AAP54858 AFK12212
SP P30569
AlphaFold P30569

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks