BMRB Entry 28041

Name: Backbone and CB Chemical Shift Assignments of Vibrio cholerae RfaH
Published: 2023-01-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28041

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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 CB Chemical Shift Assignments of Vibrio cholerae RfaH

Deposition date:

2019-11-12

Original release date:

2023-01-09

Authors:

Zuber, Philipp; Schweimer, Kristian; Knauer, Stefan

Citation:

Citation: Zuber, Philipp; Daviter, Tina; Heissmann, Ramona; Persau, Ulrike; Schweimer, Kristian; Knauer, Stefan. "Structural and thermodynamic analyses of the beta-to-alpha transformation in RfaH reveal principles of fold-switching proteins" Elife 11, e76630-e76630 (2022).
PubMed: 36255050

Assembly members:

Assembly members:
VcRfaH, polymer, 165 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pTYB1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
VcRfaH: MKRWYLLYCKRGEQQRAKMH LENQSVECFYPEVCVEKILR GKRQMVQEPLFPSYMFVRFD FENGPSFTTVRSTRGVVDFV RLGPHPRELQGDLIYQLKQL DCEQLKHATKQLPEKGQTVR VARGQFAGIEAIYLEPDGDT RSIMLVKMISQQVPMSIENT DWEVA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	479
15N chemical shifts	151
1H chemical shifts	151

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	VcRfaH monomer	1

Entities:

Entity 1, VcRfaH monomer 165 residues - Formula weight is not available

Residue 165 changed from T (WT sequence) to A to enable cleavage of Intein-CBD tag

1

MET

LYS

ARG

TRP

TYR

LEU

TYR

CYS

LYS

2

ARG

GLY

GLU

GLN

ARG

ALA

LYS

MET

HIS

3

LEU

GLU

ASN

GLN

SER

VAL

GLU

CYS

PHE

TYR

4

PRO

GLU

VAL

CYS

VAL

GLU

LYS

ILE

LEU

ARG

5

GLY

LYS

ARG

GLN

MET

VAL

GLN

GLU

PRO

LEU

6

PHE

PRO

SER

TYR

MET

PHE

VAL

ARG

PHE

ASP

7

PHE

GLU

ASN

GLY

PRO

SER

PHE

THR

VAL

8

ARG

SER

THR

ARG

GLY

VAL

ASP

PHE

VAL

9

ARG

LEU

GLY

PRO

HIS

PRO

ARG

GLU

LEU

GLN

10

GLY

ASP

LEU

ILE

TYR

GLN

LEU

LYS

GLN

LEU

11

ASP

CYS

GLU

GLN

LEU

LYS

HIS

ALA

THR

LYS

12

GLN

LEU

PRO

GLU

LYS

GLY

GLN

THR

VAL

ARG

13

VAL

ALA

ARG

GLY

GLN

PHE

ALA

GLY

ILE

GLU

14

ALA

ILE

TYR

LEU

GLU

PRO

ASP

GLY

ASP

THR

15

ARG

SER

ILE

MET

LEU

VAL

LYS

MET

ILE

SER

16

GLN

VAL

PRO

MET

SER

ILE

GLU

ASN

THR

17

ASP

TRP

GLU

VAL

ALA

Samples:

sample_1: VcRfaH, [U-99% 13C; U-99% 15N; U-80% 2H], 0.3 mM; bis-tris propane 25 mM; di sodium tartrate 25 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 0.125 M; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N BEST-TROSY	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCACO	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 HN(CO)CACB	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN vv3.5 pl5, Bruker Biospin - collection

NMRViewJ vv9.2.0-b2, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker Avance 700 MHz

UNP	Q9KTB3
AlphaFold	Q9KTB3