BMRB Entry 51503

Name: 1H, 13C, and 15N chemical shift assignments of MqsR
Published: 2022-10-31

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51503

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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:

1H, 13C, and 15N chemical shift assignments of MqsR

Deposition date:

2022-06-21

Original release date:

2022-10-31

Authors:

Yu, Victor; Ronzone, Erik; Peti, Wolfgang; Page, Rebecca

Citation:

Citation: Yu, Victor; Ronzone, Eric; Lord, Dana; Peti, Wolfgang; Page, Rebecca. "MqsR is a noncanonical microbial RNase toxin that is inhibited by antitoxin MqsA via steric blockage of substrate binding" J. Biol. Chem. 298, 102535-102535 (2022).
PubMed: 36162504

Assembly members:

Assembly members:
entity_1, polymer, 98 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET30a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MEKRTPHTRLSQVKKLVNAG QVRTTRSALLNADELGLDFD GMCNVIIGLSESDFYKSMTT YSDHTIWQDVYRPRLVTGQV YLKITVIHDVLIVSFKEK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	175
15N chemical shifts	90
1H chemical shifts	90

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MqsR	1

Entities:

Entity 1, MqsR 98 residues - Formula weight is not available

1

MET

GLU

LYS

ARG

THR

PRO

HIS

THR

ARG

LEU

2

SER

GLN

VAL

LYS

LEU

VAL

ASN

ALA

GLY

3

GLN

VAL

ARG

THR

ARG

SER

ALA

LEU

4

ASN

ALA

ASP

GLU

LEU

GLY

LEU

ASP

PHE

ASP

5

GLY

MET

CYS

ASN

VAL

ILE

GLY

LEU

SER

6

GLU

SER

ASP

PHE

TYR

LYS

SER

MET

THR

7

TYR

SER

ASP

HIS

THR

ILE

TRP

GLN

ASP

VAL

8

TYR

ARG

PRO

ARG

LEU

VAL

THR

GLY

GLN

VAL

9

TYR

LEU

LYS

ILE

THR

VAL

ILE

HIS

ASP

VAL

10

LEU

ILE

VAL

SER

PHE

LYS

GLU

LYS

Samples:

sample_1: sodium chloride 50 mM; sodium phosphate 20 mM; TCEP 0.5 mM; MqsR, [U-99% 13C; U-99% 15N], 150 uM

sample_2: sodium chloride 50 mM; sodium phosphate 20 mM; TCEP 0.5 mM; MqsR, [U-99% 15N], 150 uM

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

CARA v1.9 - chemical shift assignment

TOPSPIN v4.1.1 - collection, processing

NMR spectrometers:

Bruker Avance 500 MHz

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