BMRB Entry 15870

Name: The domain features of the peripheral stalk subunit H of the methanogenic A1AO ATP synthase and the NMR solution structure of H1-47
Published: 2009-07-10

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PDB ID: 2k6i
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15870
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

The domain features of the peripheral stalk subunit H of the methanogenic A1AO ATP synthase and the NMR solution structure of H1-47

Deposition date:

2008-07-09

Original release date:

2009-07-10

Authors:

Biukovic, Goran; Gayen, Shovanlal; Pervushin, Konstantin; Gruber, Gerhard

Citation:

Citation: Biukovic, Goran; Gayen, Shovanlal; Pervushin, Konstantin; Gruber, Gerhard. "Domain features of the peripheral stalk subunit H of the methanogenic A1AO ATP synthase and the NMR solution structure of H(1-47)." Biophys. J. 97, 286-294 (2009).
PubMed: 19580766

Assembly members:

Assembly members:
H1-47_subunit_A_ATP_synthase, polymer, 47 residues, 5208.114 Da.

Natural source:

Natural source: Common Name: Methanococcus jannaschii Taxonomy ID: 2190 Superkingdom: Archaea Kingdom: not available Genus/species: Methanococcus jannaschii

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
H1-47_subunit_A_ATP_synthase: MGVSVMEAIKEVKLAEEQAV KEIEEAKNRAEQIKAEAIEE AKKLIAC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	160
15N chemical shifts	49
1H chemical shifts	340

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	H1-47_subunit_A_ATP_synthase	1

Entities:

Entity 1, H1-47_subunit_A_ATP_synthase 47 residues - 5208.114 Da.

1

MET

GLY

VAL

SER

VAL

MET

GLU

ALA

ILE

LYS

2

GLU

VAL

LYS

LEU

ALA

GLU

GLN

ALA

VAL

3

LYS

GLU

ILE

GLU

ALA

LYS

ASN

ARG

ALA

4

GLU

GLN

ILE

LYS

ALA

GLU

ALA

ILE

GLU

5

ALA

LYS

LEU

ILE

ALA

CYS

Samples:

sample_1: H1-47 subunit A ATP synthase, [U-99% 13C; U-99% 15N], 0.5 - 1 mM; sodium azide 0.1%; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 288 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C 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 C(CO)NH	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
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

SPARKY v3.113, Goddard - chemical shift assignment, peak picking

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

TOPSPIN v1.3, Bruker Biospin - collection, processing

TALOS, Cornilescu, Delaglio and Bax - torsional angle calculation

NMR spectrometers:

Bruker Avance 600 MHz

PDB	2K6I
GB	AAB98215
SP	Q57676
AlphaFold	Q57676