BMRB Entry 51857

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

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51857

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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 MazE9 antitoxin in Mycobacterium tuberculosis

Deposition date:

2023-02-25

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, 76 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: pET21a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MKLSVSLSDDDVAILDAYVK RAGLPSRSAGLQHAIRVLRY PTLEDDYANAWQEWSAAGDT DAWEQTVGDGVGDAPR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	338
15N chemical shifts	101
1H chemical shifts	524

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MazE9, Chain A	1
2	MazE9, Chain B	1

Entities:

Entity 1, MazE9, Chain A 76 residues - Formula weight is not available

1

MET

LYS

LEU

SER

VAL

SER

LEU

SER

ASP

2

ASP

VAL

ALA

ILE

LEU

ASP

ALA

TYR

VAL

LYS

3

ARG

ALA

GLY

LEU

PRO

SER

ARG

SER

ALA

GLY

4

LEU

GLN

HIS

ALA

ILE

ARG

VAL

LEU

ARG

TYR

5

PRO

THR

LEU

GLU

ASP

TYR

ALA

ASN

ALA

6

TRP

GLN

GLU

TRP

SER

ALA

GLY

ASP

THR

7

ASP

ALA

TRP

GLU

GLN

THR

VAL

GLY

ASP

GLY

8

VAL

GLY

ASP

ALA

PRO

ARG

Samples:

sample_1: MazE9 1 mM; potassium phosphate 20 mM; sodium chloride 20 mM; EDTA 1 mM; sodium azide 0.01%; D2O 100%

sample_2: MazE9, [U-100% 15N], 150 uM; potassium phosphate 20 mM; sodium chloride 20 mM; EDTA 1 mM; sodium azide 0.01%; D2O 10%

sample_3: MazE9, [U-100% 13C; U-100% 15N], 1 mM; potassium phosphate 20 mM; sodium chloride 20 mM; sodium azide 0.01%; D2O 10%

sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D CC(CO)NH-TOCSY	sample_3	isotropic	sample_conditions_1
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HN(CA)CO	sample_3	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_3	isotropic	sample_conditions_1
3D C13-NOESY	sample_3	isotropic	sample_conditions_1
3D N15 edited TOCSY	sample_3	isotropic	sample_conditions_1
3D N15 NOESY	sample_3	isotropic	sample_conditions_1
3D HC(CO)NH	sample_3	isotropic	sample_conditions_1

Software:

VNMRj v4.2 - NMR data acquisition

NMRPipe v9.5 and 10.9 - NMR data processing

CcpNMR Analysis v2.4.2, 2.5.0 - NMR data analysis

NMR spectrometers:

Varian DDS2 600 MHz MHz

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