BMRB Entry 51227

Name: Backbone and side-chain chemical shift assignment of N-terminal domain (nMazE6) of mycobacterial antitoxin MazE6 from MazEF6 TA system
Published: 2022-09-20

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51227

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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: Backbone and side-chain chemical shift assignment of N-terminal domain (nMazE6) of mycobacterial antitoxin MazE6 from MazEF6 TA system PubMed: 36109664

Deposition date: 2021-12-10 Original release date: 2022-09-20

Authors: Kumari, Khushboo; Sarma, Siddhartha

Citation: Kumari, Khushboo; Sarma, Siddhartha. "Structural and mutational analysis of MazE6-operator DNA complex provide insights into autoregulation of toxin-antitoxin systems" Commun. Biol. 5, 963-963 (2022).

Assembly members:
entity_1, polymer, 52 residues, Formula weight is not available

Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21(a)

Entity Sequences (FASTA):
entity_1: SGSMKTAISLPDETFDRVSR RASELGMSRSEFFTKAAQRY LHELDAQLLTGQ

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	180
15N chemical shifts	53
1H chemical shifts	275

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Chain A	1
2	Chain B	1

Entities:

Entity 1, Chain A 52 residues - Formula weight is not available

Three residues (SGS) at the start of this sequence come from the affinity tag, and they have been numbered as -2, -1, and 0 respectively.

1

SER

GLY

SER

MET

LYS

THR

ALA

ILE

SER

LEU

2

PRO

ASP

GLU

THR

PHE

ASP

ARG

VAL

SER

ARG

3

ARG

ALA

SER

GLU

LEU

GLY

MET

SER

ARG

SER

4

GLU

PHE

THR

LYS

ALA

GLN

ARG

TYR

5

LEU

HIS

GLU

LEU

ASP

ALA

GLN

LEU

THR

6

GLY

GLN

Samples:

sample_1: nMazE6 400 uM; potassium phosphate 20 mM; sodium chloride 20 mM; EDTA 1 mM; sodium azide 0.01%; DSS 0.2 mM; D2O, [U-99% 2H], 10%

sample_2: nMazE6, [U-99% 15N], 400 uM; potassium phosphate 20 mM; sodium chloride 20 mM; EDTA 1 mM; sodium azide 0.01%; DSS 0.2 mM; D2O, [U-99% 2H], 10%

sample_3: nMazE6, [U-99% 13C; U-99% 15N], 400 uM; potassium phosphate 20 mM; sodium chloride 20 mM; EDTA 1 mM; sodium azide 0.01%; DSS 0.2 mM; D2O, [U-99% 2H], 10%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D CC(CO)NH	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HN(CA)CO	sample_3	isotropic	sample_conditions_1
3D H(CCO)NH	sample_3	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
13C, 15N simultaneous edited NOESY	sample_3	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_3	isotropic	sample_conditions_1

Software:

VNMRj v4.2 - Data Acquisition

NMRPipe - Data processing

CcpNMR - data analysis

NMR spectrometers:

Agilent DDS2 14.1 T MHz

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