BMRB Entry 36447

Name: NMR structure of the zeta-subunit of the F1F0-ATPase from Sinorhizobium meliloti
Published: 2022-03-22

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PDB ID: 7vkv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36447
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of the zeta-subunit of the F1F0-ATPase from Sinorhizobium meliloti

Deposition date: 2021-10-01 Original release date: 2022-03-22

Authors: Yang, L.; Mendoza-Hoffmann, F.; Buratto, D.

Citation: Yang, L.; Mendoza-Hoffmann, F.; Buratto, D.. "NMR structure of the zeta-subunit of the F1F0-ATPase from Sinorhizobium meliloti" .

Assembly members:
zeta-subunit, polymer, 104 residues, 11616.140 Da.

Natural source: Common Name: Ensifer meliloti, Sinorhizobium meliloti Taxonomy ID: 266834 Superkingdom: Bacteria Kingdom: not available Genus/species: Sinorhizobium meliloti

Experimental source: Production method: recombinant technology Host organism: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

Entity Sequences (FASTA):
zeta-subunit: MTTMQDREKAFEAKFALDEE LRFKATARRNKLLGLWAAGL LAKSDPEAYASEIVAADFEE AGHEDVVRKIKTDFDAAGVA ISEDDIRVRMIELLSEAVAQ LQKN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	364
15N chemical shifts	96
1H chemical shifts	559

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 104 residues - 11616.140 Da.

1

MET

THR

MET

GLN

ASP

ARG

GLU

LYS

ALA

2

PHE

GLU

ALA

LYS

PHE

ALA

LEU

ASP

GLU

3

LEU

ARG

PHE

LYS

ALA

THR

ALA

ARG

ASN

4

LYS

LEU

GLY

LEU

TRP

ALA

GLY

LEU

5

LEU

ALA

LYS

SER

ASP

PRO

GLU

ALA

TYR

ALA

6

SER

GLU

ILE

VAL

ALA

ASP

PHE

GLU

7

ALA

GLY

HIS

GLU

ASP

VAL

ARG

LYS

ILE

8

LYS

THR

ASP

PHE

ASP

ALA

GLY

VAL

ALA

9

ILE

SER

GLU

ASP

ILE

ARG

VAL

ARG

MET

10

ILE

GLU

LEU

SER

GLU

ALA

VAL

ALA

GLN

11

LEU

GLN

LYS

ASN

Samples:

sample_1: zeta-subunit, [U-13C; U-15N], 1.0 mM; PBS 25 mM; NaCl 50 mM; NaN3 4.5 mM; H2O 95%; D2O, [U-2H], 5%

sample_conditions_1: ionic strength: 75 mM; pH: 6.8; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
5D APSY CBCACONH	sample_1	isotropic	sample_conditions_1
4D APSY HACANH	sample_1	isotropic	sample_conditions_1
5D APSY HACACONH	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1

Software:

CARA, Keller and Wuthrich - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

GROMACS, John Kerrigan - refinement

TopSpin, Bruker Biospin - collection

UNIO, Torsten Herrmann - chemical shift assignment, structure calculation

NMR spectrometers:

Bruker AVANCE III HD 800 MHz

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