BMRB Entry 16354

Name: NMR solution structure of the N terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii
Published: 2009-09-29

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PDB ID: 2kk7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16354
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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 N terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii

Deposition date:

2009-06-16

Original release date:

2009-09-29

Authors:

Gayen, Shovanlal; Balakrishna, Asha; Gruber, Gerhard

Citation:

Citation: Gayen, Shovanlal; Balakrishna, Asha; Gruber, Gerhard. "NMR solution structure of the N-terminal domain of subunit E (E1-52) of A1AO ATP synthase from Methanocaldococcus jannaschii." J. Bioenerg. Biomembr. 41, 343-348 (2009).
PubMed: 19760172

Assembly members:

Assembly members:
E(1-52), polymer, 52 residues, Formula weight is not available

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: Escherichia coli Vector: pET9d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
E(1-52): MAVKLMGVDKIKSKILDDAK AEANKIISEAEAEKAKILEK AKEEAEKRKAEI

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	155
15N chemical shifts	52
1H chemical shifts	377

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	E subunit	1

Entities:

Entity 1, E subunit 52 residues - Formula weight is not available

1

MET

ALA

VAL

LYS

LEU

MET

GLY

VAL

ASP

LYS

2

ILE

LYS

SER

LYS

ILE

LEU

ASP

ALA

LYS

3

ALA

GLU

ALA

ASN

LYS

ILE

SER

GLU

ALA

4

GLU

ALA

GLU

LYS

ALA

LYS

ILE

LEU

GLU

LYS

5

ALA

LYS

GLU

ALA

GLU

LYS

ARG

LYS

ALA

6

GLU

ILE

Samples:

sample_1: sodium phosphate 25 mM; D2O 10%; sodium azide 0.1 mM; TFE 60%; H2O 90%

sample_conditions_1: ionic strength: 0 mM; pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

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

TOPSPIN v2.1, Bruker Biospin - collection

Molmol, Koradi, Billeter and Wuthrich - structure solution

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

PDB	2KK7
GB	AAB98203 AIJ06424
REF	WP_048202497
SP	Q57673
AlphaFold	Q57673