BMRB Entry 50784

Name: MqsA residues 1-76
Published: 2022-04-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50784

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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:

MqsA residues 1-76

Deposition date:

2021-02-20

Original release date:

2022-04-15

Authors:

Schoenle, Marta; Vos, Margaret; Peti, Wolfgang; Page, Rebecca

Citation:

Citation: Vos, Margaret; Piraino, Benjamin; LaBreck, Christopher; Rahmani, Negar; Trebino, Catherine; Schoenle, Marta; Peti, Wolfgang; Camberg, Jodi; Page, Rebecca. "Degradation of the E. coli antitoxin MqsA by the proteolytic complex ClpXP is regulated by zinc occupancy and oxidation" J. Biol. Chem. 298, 101557-101557 (2022).
PubMed: 34974059

Assembly members:

Assembly members:
entity_1, polymer, 78 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.

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: RP1B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GHMKCPVCHQGEMVSGIKDI PYTFRGRKTVLKGIHGLYCV HCEESIMNKEESDAFMAQVK AFRASVNAETVAPEFIVK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	133
15N chemical shifts	69
1H chemical shifts	69

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MqsA N-terminal Domain	1
2	Zinc	2

Entities:

Entity 1, MqsA N-terminal Domain 78 residues - Formula weight is not available

GH are cloning artifacts; MqsA sequence starts with MKC

1

GLY

HIS

MET

LYS

CYS

PRO

VAL

CYS

HIS

GLN

2

GLY

GLU

MET

VAL

SER

GLY

ILE

LYS

ASP

ILE

3

PRO

TYR

THR

PHE

ARG

GLY

ARG

LYS

THR

VAL

4

LEU

LYS

GLY

ILE

HIS

GLY

LEU

TYR

CYS

VAL

5

HIS

CYS

GLU

SER

ILE

MET

ASN

LYS

GLU

6

GLU

SER

ASP

ALA

PHE

MET

ALA

GLN

VAL

LYS

7

ALA

PHE

ARG

ALA

SER

VAL

ASN

ALA

GLU

THR

8

VAL

ALA

PRO

GLU

PHE

ILE

VAL

LYS

Entity 2, Zinc - Zn - 65.409 Da.

1

ZN

Samples:

sample_1: MqsA Residues 1-76, [U-99% 15N], 465 uM; sodium phosphate 20 mM; sodium chloride 50 mM; TCEP 0.5 mM

sample_2: MqsA Residues 1-76, [U-99% 13C; U-99% 15N], 650 uM; sodium phosphate 20 mM; sodium chloride 50 mM; TCEP 0.5 mM

sample_conditions_1: 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_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.1.1 - collection, data analysis

CARA v1.9 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 800 MHz