BMRB Entry 17295
Click here to enlarge.
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
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Protein and metal cluster structure of the wheat metallothionein domain g-Ec-1. The second part of the puzzle. PubMed: 21437709
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: 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).
Assembly members:
EC_PROTEIN_I/II, polymer, 26 residues, 2464.794 Da.
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Canadian hard wheat, common wheat, 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_PROTEIN_I/II: GSGCDDKCGCAVPCPGGTGC
RCTSAR
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 21 |
| 1H chemical shifts | 120 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | EC PROTEIN I/II | 1 |
| 2 | ZINC ION_1 | 2 |
| 3 | ZINC ION_2 | 2 |
Entities:
Entity 1, EC PROTEIN I/II 26 residues - 2464.794 Da.
| 1 | GLY | SER | GLY | CYS | ASP | ASP | LYS | CYS | GLY | CYS | ||||
| 2 | ALA | VAL | PRO | CYS | PRO | GLY | GLY | THR | GLY | CYS | ||||
| 3 | ARG | CYS | THR | SER | ALA | ARG |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H- 15N NOESY | sample_1 | isotropic | sample_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 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts