BMRB Entry 16247

Name: NMR solution structure of the b30-82 domain of subunit b of Escherichia coli F1FO ATP synthase
Published: 2009-10-16

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PDB ID: 2khk
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16247
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR solution structure of the b30-82 domain of subunit b of Escherichia coli F1FO ATP synthase

Deposition date:

2009-04-08

Original release date:

2009-10-16

Authors:

Priya, Ragunathan; Biukovic, Goran; Gayen, Shovanlal; Vivekanandan, Subramanian; Gruber, Gerhard

Citation:

Citation: Priya, Ragunathan; Biukovic, Goran; Gayen, Shovanlal; Vivekanandan, Subramanian; Gruber, Gerhard. "Solution structure, determined by nuclear magnetic resonance, of the b30-82 domain of subunit b of Escherichia coli F1Fo ATP synthase." J. Bacteriol. 191, 7538-7544 (2009).
PubMed: 19820091

Assembly members:

Assembly members:
subunit_b_30-82, polymer, 53 residues, 5785.686 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET9d1-His3 vector

Entity Sequences (FASTA):

Entity Sequences (FASTA):
subunit_b_30-82: MAAIEKRQKEIADGLASAER AHKDLDLAKASATDQLKKAK AEAQVIIEQANKR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	210
15N chemical shifts	51
1H chemical shifts	326

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit b 30-82	1

Entities:

Entity 1, subunit b 30-82 53 residues - 5785.686 Da.

1

MET

ALA

ILE

GLU

LYS

ARG

GLN

LYS

GLU

2

ILE

ALA

ASP

GLY

LEU

ALA

SER

ALA

GLU

ARG

3

ALA

HIS

LYS

ASP

LEU

ASP

LEU

ALA

LYS

ALA

4

SER

ALA

THR

ASP

GLN

LEU

LYS

ALA

LYS

5

ALA

GLU

ALA

GLN

VAL

ILE

GLU

GLN

ALA

6

ASN

LYS

ARG

Samples:

sample_1: subunit b 30-82, [U-99% 13C; U-99% 15N], 1 mM; H2O 90%; D2O 10%; NaH2PO4 25 mM; Na2HPO4 25 mM; NaN3 0.1%

sample_conditions_1: ionic strength: 0 mM; pH: 6.8; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

CYANA v2.1, P.GUNTERT ET AL. - refinement

SPARKY, Goddard - chemical shift assignment

TOPSPIN v1.3, Bruker Biospin - processing

Molmol, Koradi, Billeter and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 600 MHz

PDB	2KHK
DBJ	BAB38101 BAE77552 BAG79550 BAI28000 BAI33123
EMBL	CAA23516 CAA23523 CAA25778 CAD03126 CAP78194
GB	AAA24733 AAA24741 AAA62088 AAA83871 AAC76759
PIR	AB0954
REF	NP_312705 NP_418192 NP_458074 NP_462768 NP_709549
SP	A7ZTU8 A8A6J9 A8ACP2 A9MJR5 A9MXB0
AlphaFold	A7ZTU8 A8A6J9 A8ACP2 A9MJR5 A9MXB0