BMRB Entry 34606

Name: cytoplasmic domain of Vibrio cholerae ToxR
Published: 2021-10-22

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PDB ID: 7nmb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34606
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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:

cytoplasmic domain of Vibrio cholerae ToxR

Deposition date:

2021-02-23

Original release date:

2021-10-22

Authors:

Gubensaek, N.; Zangger, K.; Hartlmueller, C.; Madl, T.

Citation:

Citation: Gubensak, Nina; Schrank, Evelyne; Hartlmuller, Christoph; Gobl, Christoph; Falsone, Fabio; Becker, Walter; Wagner, Gabriel; Pulido, Sergio; Meyer, N Helge; Pavkov-Keller, Tea; Madl, Tobias; Reidl, Joachim; Zangger, Klaus. "Structural and DNA binding properties of the cytoplasmic domain of Vibrio cholerae transcription factor ToxR" J. Biol. Chem. ., 101167-101167 (2021).
PubMed: 34487759

Assembly members:

Assembly members:
entity_1, polymer, 144 residues, 16641.771 Da.

Natural source:

Natural source: Common Name: Vibrio cholerae Taxonomy ID: 666 Superkingdom: Bacteria Kingdom: not available Genus/species: Vibrio cholerae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAHHHHHHGSMFGLGHNSKE ISMSHIGTKFILAEKFTFDP LSNTLIDKEDSEEIIRLGSN ESRILWLLAQRPNEVISRND LHDFVWREQGFEVDDSSLTQ AISTLRKMLKDSTKSPQYVK TVPKRGYQLIARVETVEEEM ARES

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	330
15N chemical shifts	101
1H chemical shifts	492

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 144 residues - 16641.771 Da.

1

MET

ALA

HIS

GLY

SER

2

MET

PHE

GLY

LEU

GLY

HIS

ASN

SER

LYS

GLU

3

ILE

SER

MET

SER

HIS

ILE

GLY

THR

LYS

PHE

4

ILE

LEU

ALA

GLU

LYS

PHE

THR

PHE

ASP

PRO

5

LEU

SER

ASN

THR

LEU

ILE

ASP

LYS

GLU

ASP

6

SER

GLU

ILE

ARG

LEU

GLY

SER

ASN

7

GLU

SER

ARG

ILE

LEU

TRP

LEU

ALA

GLN

8

ARG

PRO

ASN

GLU

VAL

ILE

SER

ARG

ASN

ASP

9

LEU

HIS

ASP

PHE

VAL

TRP

ARG

GLU

GLN

GLY

10

PHE

GLU

VAL

ASP

SER

LEU

THR

GLN

11

ALA

ILE

SER

THR

LEU

ARG

LYS

MET

LEU

LYS

12

ASP

SER

THR

LYS

SER

PRO

GLN

TYR

VAL

LYS

13

THR

VAL

PRO

LYS

ARG

GLY

TYR

GLN

LEU

ILE

14

ALA

ARG

VAL

GLU

THR

VAL

GLU

MET

15

ALA

ARG

GLU

SER

Samples:

sample_1: cToxR_1-134, [U-13C; U-15N], 400 uM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
hCCONH	sample_1	isotropic	sample_conditions_1
hCCONH	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CcpNmr Analysis, CCPN - chemical shift assignment

CS-ROSETTA, Shen, Vernon, Baker and Bax - structure calculation

NMR spectrometers:

Bruker AVANCE III 700 MHz

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