BMRB Entry 51850

Name: Backbone and side-chain chemical shift assignments of the conformers of the C terminal domain (CTD) of MazE9 antitoxin in Mycobacterium tuberculosis
Published: 2023-11-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51850

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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 conformers of the C terminal domain (CTD) of MazE9 antitoxin in Mycobacterium tuberculosis

Deposition date:

2023-02-21

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, 38 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: pET-21a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSPTLEDDYANAWQEWSAAG DTDAWEQTVGDGVGDAPR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	173
15N chemical shifts	47
1H chemical shifts	244

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MazE9_CTD, major conformer	1
2	MazE9_CTD, minor conformer	1

Entities:

Entity 1, MazE9_CTD, major conformer 38 residues - Formula weight is not available

The first 2 amino acid residues (GS) in this sequence are from the purification tag and have been numbered 42 and 43 respectively. Following the tag, residues 44-79 have been numbered in keeping with the full-length sequence of MazE9.

1

GLY

SER

PRO

THR

LEU

GLU

ASP

TYR

ALA

2

ASN

ALA

TRP

GLN

GLU

TRP

SER

ALA

GLY

3

ASP

THR

ASP

ALA

TRP

GLU

GLN

THR

VAL

GLY

4

ASP

GLY

VAL

GLY

ASP

ALA

PRO

ARG

Samples:

sample_1: MazE9_CTD, [U-100% 13C; U-100% 15N], 1.4 mM; D2O 10%; potassium phosphate 20 mM; sodium chloride 20 mM; sodium azide 0.01%

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

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CC(CO)NH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HC(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

VNMRj - data acquisition

NMRPipe - processing

CcpNMR - data analysis

NMR spectrometers:

Varian DDS2 600 MHz

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