BMRB Entry 16804

Name: NMR assignments for Thermus thermophilus Rieske protein at pH 5.2 in oxidized state
Published: 2010-06-15

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16804

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR assignments for Thermus thermophilus Rieske protein at pH 5.2 in oxidized state

Deposition date:

2010-03-30

Original release date:

2010-06-15

Authors:

Hsueh, Kuang-Lung; Markley, John

Citation:

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).
PubMed: 20496909

Assembly members:

Assembly members:
Rieske_protein, polymer, 157 residues, Formula weight is not available
FE2/S2 (INORGANIC) CLUSTER, non-polymer, 175.820 Da.

Natural source:

Natural source: Common Name: Thermus thermophilus Taxonomy ID: 274 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermus thermophilus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET17b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Rieske_protein: MTPEKEPLKPGDILVYAQGG GEPKPIRLEELKPGDPFVLA YPMDPKTKVVKSGEAKNTLL VARFDPEELAPEVAQHAAEG VVAYSAVCTLPGPIVSQFVA DEEAALCPCPGPVYDLRHGA QVIAGPPPRPVPQLPVRVED GVLVAAGEFLGPVGVQA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	336
15N chemical shifts	131
1H chemical shifts	131

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

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

3

GLY

GLU

PRO

LYS

PRO

ILE

ARG

LEU

GLU

4

LEU

LYS

PRO

GLY

ASP

PRO

PHE

VAL

LEU

ALA

5

TYR

PRO

MET

ASP

PRO

LYS

THR

LYS

VAL

6

LYS

SER

GLY

GLU

ALA

LYS

ASN

THR

LEU

7

VAL

ALA

ARG

PHE

ASP

PRO

GLU

LEU

ALA

8

PRO

GLU

VAL

ALA

GLN

HIS

ALA

GLU

GLY

9

VAL

ALA

TYR

SER

ALA

VAL

CYS

THR

LEU

10

PRO

GLY

PRO

ILE

VAL

SER

GLN

PHE

VAL

ALA

11

ASP

GLU

ALA

LEU

CYS

PRO

CYS

PRO

12

GLY

PRO

VAL

TYR

ASP

LEU

ARG

HIS

GLY

ALA

13

GLN

VAL

ILE

ALA

GLY

PRO

ARG

PRO

14

VAL

PRO

GLN

LEU

PRO

VAL

ARG

VAL

GLU

ASP

15

GLY

VAL

LEU

VAL

ALA

GLY

GLU

PHE

LEU

16

GLY

PRO

VAL

GLY

VAL

GLN

ALA

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:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1_oxidized	isotropic	sample_conditions_1
3D HNCACB	sample_1_oxidized	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1_oxidized	isotropic	sample_conditions_1

Software:

SPARKY v3.114, Goddard - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz