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 19557

Title: Solution structure of the circular g-domain analog from the wheat metallothionein Ec-1   PubMed: 24284492

Deposition date: 2013-10-14 Original release date: 2013-11-26

Authors: Tarasava, Katsiaryna; Johannsen, Silke; Freisinger, Eva

Citation: Tarasava, Katsiaryna; Johannsen, Silke; Freisinger, Eva. "Solution Structure of the Circular -Domain Analog from the Wheat Metallothionein Ec-1."  Molecules 18, 14414-14429 (2013).

Assembly members:
cyc-gEc1, polymer, 31 residues, 2792.133 Da.
entity_CD, non-polymer, 112.411 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):
cyc-gEc1: AGCDDKCGCAVPCPGGTGCR CTSARSGGAAG

Data sets:
Data typeCount
1H chemical shifts130

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1cyc-gEc11
2CADMIUM ION_12
3CADMIUM ION_22

Entities:

Entity 1, cyc-gEc1 31 residues - 2792.133 Da.

1   ALAGLYCYSASPASPLYSCYSGLYCYSALA
2   VALPROCYSPROGLYGLYTHRGLYCYSARG
3   CYSTHRSERALAARGSERGLYGLYALAALA
4   GLY

Entity 2, CADMIUM ION_1 - Cd - 112.411 Da.

1   CD

Samples:

sample_1: cyc-gEc1 0.9 mM; CADMIUM ION, 113Cd, 1.8 mM; TRIS, [U-99% 2H], 10 mM; sodium perchlorate 10 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 7.5; pressure: 1 atm; temperature: 307.2 K

sample_conditions_2: ionic strength: 0.02 M; pH: 7.5; pressure: 1 bar; temperature: 295.5 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-113Cd HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_2
2D 1H-1H NOESYsample_1isotropicsample_conditions_2
2D 1H-113Cd HSQCsample_1isotropicsample_conditions_2

Software:

CARA v1.9.0, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

CYANA v3.1, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY v3.113, Goddard - chemical shift assignment, data analysis, peak picking

XEASY v1.3.13, Bartels et al. - data analysis, peak picking

X-PLOR NIH v2.33, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

TOPSPIN v3.0, Bruker Biospin - collection, processing

PSVS, Bhattacharya and Montelione - validation

NMR spectrometers:

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

Related Database Links:

PDB
DBJ BAK06800
EMBL CAD88267
GB AFK12212