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 16804

Title: NMR assignments for Thermus thermophilus Rieske protein at pH 5.2 in oxidized state   PubMed: 20496909

Deposition date: 2010-03-30 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
FE2/S2 (INORGANIC) CLUSTER, non-polymer, 175.820 Da.

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 VVAYSAVCTLPGPIVSQFVA DEEAALCPCPGPVYDLRHGA QVIAGPPPRPVPQLPVRVED GVLVAAGEFLGPVGVQA

Data sets:
Data typeCount
13C chemical shifts336
15N chemical shifts131
1H chemical shifts131

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Rieske protein1
2[2Fe-2S] cofactor2

Entities:

Entity 1, Rieske protein 157 residues - Formula weight is not available

1   METTHRPROGLULYSGLUPROLEULYSPRO
2   GLYASPILELEUVALTYRALAGLNGLYGLY
3   GLYGLUPROLYSPROILEARGLEUGLUGLU
4   LEULYSPROGLYASPPROPHEVALLEUALA
5   TYRPROMETASPPROLYSTHRLYSVALVAL
6   LYSSERGLYGLUALALYSASNTHRLEULEU
7   VALALAARGPHEASPPROGLUGLULEUALA
8   PROGLUVALALAGLNHISALAALAGLUGLY
9   VALVALALATYRSERALAVALCYSTHRLEU
10   PROGLYPROILEVALSERGLNPHEVALALA
11   ASPGLUGLUALAALALEUCYSPROCYSPRO
12   GLYPROVALTYRASPLEUARGHISGLYALA
13   GLNVALILEALAGLYPROPROPROARGPRO
14   VALPROGLNLEUPROVALARGVALGLUASP
15   GLYVALLEUVALALAALAGLYGLUPHELEU
16   GLYPROVALGLYVALGLNALA

Entity 2, [2Fe-2S] cofactor - Fe2 S2 - 175.820 Da.

1   FES

Samples:

sample_1_oxidized: Thermus thermophilus Rieske protein, [U-98% 13C; U-98% 15N], 5 ± 0.1 mM; TRIS 20 ± 1 mM; sodium phosphate 20 ± 1 mM; boric acid 20 ± 1 mM; ferricyanide 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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1_oxidizedisotropicsample_conditions_1
3D HNCACBsample_1_oxidizedisotropicsample_conditions_1
3D CBCA(CO)NHsample_1_oxidizedisotropicsample_conditions_1

Software:

SPARKY v3.114, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 16787

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts