BMRB Entry 17979
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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/BMR17979
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Title: Solution structure of the Zn(II) form of Desulforedoxin
Deposition date: 2011-10-06 Original release date: 2011-11-02
Authors: Goodfellow, Brian; Tavares, Pedro; Romao, Maria; Czaja, C.; Rusnak, Frank; LeGall, Jean; Moura, Isabel; Moura, Jose
Citation: Goodfellow, Brian; Tavares, Pedro; Romao, Maria; Czaja, C.; Rusnak, Frank; LeGall, Jean; Moura, Isabel; Moura, Jose. "The solution structure of desulforedoxin, a simple iron-sulfur protein - An NMR study of the zinc derivative" J. Biol. Inorg. Chem. 1, 341-354 (1996).
Assembly members:
Desulforedoxin, polymer, 36 residues, 3807.364 Da.
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Desulfovibrio gigas Taxonomy ID: 879 Superkingdom: Bacteria Kingdom: not available Genus/species: Desulfovibrio gigas
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Desulforedoxin: ANEGDVYKCELCGQVVKVLE
EGGGTLVCCGEDMVKQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 231 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Desulforedoxin | 1 |
| 2 | Zn(II) ion | 2 |
Entities:
Entity 1, Desulforedoxin 36 residues - 3807.364 Da.
| 1 | ALA | ASN | GLU | GLY | ASP | VAL | TYR | LYS | CYS | GLU | ||||
| 2 | LEU | CYS | GLY | GLN | VAL | VAL | LYS | VAL | LEU | GLU | ||||
| 3 | GLU | GLY | GLY | GLY | THR | LEU | VAL | CYS | CYS | GLY | ||||
| 4 | GLU | ASP | MET | VAL | LYS | GLN |
Entity 2, Zn(II) ion - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: Desulforedoxin 2-4 mM
sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
DIANA v2.8, Guntert, Braun and Wuthrich - structure solution
XEASY v3.1, Bartels et al. - chemical shift assignment
NMR spectrometers:
- Bruker ARX 400 MHz