BMRB Entry 51858

Name: Backbone and side-chain chemical shift assignments of the P44A mutant of the MazE9 antitoxin in Mycobacterium tuberculosis
Published: 2023-11-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51858

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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 assignments of the P44A mutant of the MazE9 antitoxin in Mycobacterium tuberculosis

Deposition date:

2023-02-27

Original release date:

2023-11-21

Authors:

Basu Roy, Tanaya; Sarma, Siddhartha

Citation:

Citation: Basu Roy, Tanaya; Sarma, Siddhartha. "Insights into the solution structure and transcriptional regulation of the MazE9 antitoxin in Mycobacterium tuberculosis" Proteins ., .-. (2023).
PubMed: 37737533

Assembly members:

Assembly members:
entity_1, polymer, 79 residues, Formula weight is not available

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SGSMKLSVSLSDDDVAILDA YVKRAGLPSRSAGLQHAIRV LRYATLEDDYANAWQEWSAA GDTDAWEQTVGDGVGDAPR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	257
15N chemical shifts	129
1H chemical shifts	373

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MazE9_P44A, Chain A	1
2	MazE9_P44A, Chain B	1

Entities:

Entity 1, MazE9_P44A, Chain A 79 residues - Formula weight is not available

1

SER

GLY

SER

MET

LYS

LEU

SER

VAL

SER

LEU

2

SER

ASP

VAL

ALA

ILE

LEU

ASP

ALA

3

TYR

VAL

LYS

ARG

ALA

GLY

LEU

PRO

SER

ARG

4

SER

ALA

GLY

LEU

GLN

HIS

ALA

ILE

ARG

VAL

5

LEU

ARG

TYR

ALA

THR

LEU

GLU

ASP

TYR

6

ALA

ASN

ALA

TRP

GLN

GLU

TRP

SER

ALA

7

GLY

ASP

THR

ASP

ALA

TRP

GLU

GLN

THR

VAL

8

GLY

ASP

GLY

VAL

GLY

ASP

ALA

PRO

ARG

Samples:

sample_1: MazE9_P44A, [U-100% 15N], 425 uM; potassium phosphate 20 mM; sodium chloride 20 mM; sodium azide 0.01%; D2O 10%; EDTA 1 mM

sample_2: MazE9_P44A, [U-100% 13C; U-100% 15N], 544 uM; potassium phosphate 20 mM; sodium chloride 20 mM; sodium azide 0.01%; D2O 10%; EDTA 1 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 20 mM; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D N15 edited TOCSY	sample_1	isotropic	sample_conditions_1
3D N15-NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D C13-NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D CC(CO)NH-TOCSY	sample_2	isotropic	sample_conditions_2

Software:

VNMRj - NMR data acquisition

TOPSPIN v4.1.0 - NMR data acquisition

NMRPipe - NMR data processing

CcpNMR Analysis v2.5.0 - NMR data analysis

NMR spectrometers:

Varian DDS2 600 MHz MHz
Bruker AVANCE III 700 MHz MHz
Bruker AVANCE III 800 MHz MHz

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