BMRB Entry 16787
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16787
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Title: NMR assignments for Thermus thermophilus Rieske protein at pH 5.2 at the reduced state PubMed: 20496909
Deposition date: 2010-03-23 Original release date: 2010-06-15
Authors: Hsueh, Kuang-Lung; Markley, John
Citation: Hsueh, Kuang-Lung; Westler, William; Markley, John. "NMR investigations of the Rieske protein from Thermus thermophilus support a coupled proton and electron transfer mechanism." J. Am. Chem. Soc. 132, 7908-7918 (2010).
Assembly members:
Rieske_protein, polymer, 157 residues, Formula weight is not available
[2Fe-2S], non-polymer, Formula weight is not available
Natural source: Common Name: Thermus thermophilus Taxonomy ID: 274 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermus thermophilus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Rieske_protein: MTPEKEPLKPGDILVYAQGG
GEPKPIRLEELKPGDPFVLA
YPMDPKTKVVKSGEAKNTLL
VARFDPEELAPEVAQHAAEG
VVAYSAVCTHLGPIVSQFVA
DEEAALCPCPGPVYDLRHGA
QVIAGPPPRPVPQLPVRVED
GVLVAAGEFLGPVGVQA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 335 |
| 15N chemical shifts | 131 |
| 1H chemical shifts | 131 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Rieske protein | 1 |
| 2 | [2Fe-2S] cofactor | 2 |
Entities:
Entity 1, Rieske protein 157 residues - Formula weight is not available
| 1 | MET | THR | PRO | GLU | LYS | GLU | PRO | LEU | LYS | PRO | ||||
| 2 | GLY | ASP | ILE | LEU | VAL | TYR | ALA | GLN | GLY | GLY | ||||
| 3 | GLY | GLU | PRO | LYS | PRO | ILE | ARG | LEU | GLU | GLU | ||||
| 4 | LEU | LYS | PRO | GLY | ASP | PRO | PHE | VAL | LEU | ALA | ||||
| 5 | TYR | PRO | MET | ASP | PRO | LYS | THR | LYS | VAL | VAL | ||||
| 6 | LYS | SER | GLY | GLU | ALA | LYS | ASN | THR | LEU | LEU | ||||
| 7 | VAL | ALA | ARG | PHE | ASP | PRO | GLU | GLU | LEU | ALA | ||||
| 8 | PRO | GLU | VAL | ALA | GLN | HIS | ALA | ALA | GLU | GLY | ||||
| 9 | VAL | VAL | ALA | TYR | SER | ALA | VAL | CYS | THR | HIS | ||||
| 10 | LEU | GLY | PRO | ILE | VAL | SER | GLN | PHE | VAL | ALA | ||||
| 11 | ASP | GLU | GLU | ALA | ALA | LEU | CYS | PRO | CYS | PRO | ||||
| 12 | GLY | PRO | VAL | TYR | ASP | LEU | ARG | HIS | GLY | ALA | ||||
| 13 | GLN | VAL | ILE | ALA | GLY | PRO | PRO | PRO | ARG | PRO | ||||
| 14 | VAL | PRO | GLN | LEU | PRO | VAL | ARG | VAL | GLU | ASP | ||||
| 15 | GLY | VAL | LEU | VAL | ALA | ALA | GLY | GLU | PHE | LEU | ||||
| 16 | GLY | PRO | VAL | GLY | VAL | GLN | ALA |
Entity 2, [2Fe-2S] cofactor - . - Formula weight is not available
| 1 | [2Fe-2S] |
Samples:
sample_2_reduced: Thermus thermophilus Rieske protein 5 ± 0.1 mM; TRIS 20 ± 1 mM; sodium phosphate 20 ± 1 mM; boric acid 20 ± 1 mM; dithionite 30 ± 3 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.4 M; pH: 5.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2_reduced | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2_reduced | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2_reduced | isotropic | sample_conditions_1 |
Software:
SPARKY v3.114, Goddard - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts