BMRB Entry 34607

Name: periplasmic domain of Vibrio cholerae ToxR
Published: 2021-04-05

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PDB ID: 7nn6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34607
MolProbity Validation Chart

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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:

periplasmic domain of Vibrio cholerae ToxR

Deposition date:

2021-02-24

Original release date:

2021-04-05

Authors:

Gubensaek, N.; Wagner, G.; Zangger, K.

Citation:

Citation: Gubensak, N.; Wagner, G.; Schrank, E.; Falsone, F.; Berger, T.; Pavkov-Keller, T.; Reidl, J.; Zangger, K.. "The periplasmic domains of Vibriocholerae ToxR and ToxS are forming a strong heterodimeric complex independent on the redox state of ToxR cysteines." Mol. Microbiol. 115, 1277-1291 (2021).
PubMed: 33368680

Assembly members:

Assembly members:
entity_1, polymer, 106 residues, 11649.107 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: MRGSHHHHHHGSPSQTSFKP LTVVDGVAVNMPNNHPDLSN WLPSIELCVKKYNEKHTGGL KPIEVIATGGQNNQLTLNYI HSPEVSGENITLRIVANPND AIKVCE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	229
15N chemical shifts	64
1H chemical shifts	435

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_1 106 residues - 11649.107 Da.

1

MET

ARG

GLY

SER

HIS

2

GLY

SER

PRO

SER

GLN

THR

SER

PHE

LYS

PRO

3

LEU

THR

VAL

ASP

GLY

VAL

ALA

VAL

ASN

4

MET

PRO

ASN

HIS

PRO

ASP

LEU

SER

ASN

5

TRP

LEU

PRO

SER

ILE

GLU

LEU

CYS

VAL

LYS

6

LYS

TYR

ASN

GLU

LYS

HIS

THR

GLY

LEU

7

LYS

PRO

ILE

GLU

VAL

ILE

ALA

THR

GLY

8

GLN

ASN

GLN

LEU

THR

LEU

ASN

TYR

ILE

9

HIS

SER

PRO

GLU

VAL

SER

GLY

GLU

ASN

ILE

10

THR

LEU

ARG

ILE

VAL

ALA

ASN

PRO

ASN

ASP

11

ALA

ILE

LYS

VAL

CYS

GLU

Samples:

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

sample_conditions_1: ionic strength: 50 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 HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - chemical shift calculation, refinement

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

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

CcpNmr Analysis, CCPN - chemical shift assignment

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