BMRB Entry 7359

Name: 1H, 15N and 13C chemical shift assignments for reduced and oxidised forms of the DsbA oxidoreductase from Vibrio cholerae
Published: 2007-06-26

Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR7359

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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, 15N and 13C chemical shift assignments for reduced and oxidised forms of the DsbA oxidoreductase from Vibrio cholerae

Deposition date:

2007-01-10

Original release date:

2007-06-26

Authors:

Horne, Henry; Scanlon, Martin

Citation:

Citation: Horne, James; Scanlon, Martin. "Backbone and side chain 1H, 15N and 13C assignments for the reduced form of the oxidoreductase protein DsbA from Vibrio cholerae" Biomol. NMR Assignments 1, 75-76 (2007).
PubMed: 19636831

Assembly members:

Assembly members:
DsbA protein disulfide isomerase, polymer, 181 residues, 20443.3 Da.

Natural source:

Natural source: Common Name: cholera Taxonomy ID: 666 Superkingdom: Eukaryota Kingdom: Not applicable Genus/species: Vibrio cholerae

Experimental source:

Experimental source: Production method: recombinant technology Vector: pKc-type

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DsbA protein disulfide isomerase: AQFKEGEHYQVLKTPASSSP VVSEFFSFYCPHCNTFEPII AQLKQQLPEGAKFQKNHVSF MGGNMGQAMSKAYATMIALE VEDKMVPVMFNRIHTLRKPP KDEQELRQIFLDEGIDAAKF DAAYNGFAVDSMVRRFDKQF QDSGLTGVPAVVVNNRYLVQ GQSAKSLDEYFDLVNYLLTL K

Data sets:

assigned_chemical_shifts
- Dsba-oxidised

Data type	Count
13C chemical shifts	526
15N chemical shifts	182
1H chemical shifts	1157

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DsbA	1

Entities:

Entity 1, DsbA 181 residues - 20443.3 Da.

V148A cloning artefact in original clone gifted to this laboratory

1

ALA

GLN

PHE

LYS

GLU

GLY

GLU

HIS

TYR

GLN

2

VAL

LEU

LYS

THR

PRO

ALA

SER

PRO

3

VAL

SER

GLU

PHE

SER

PHE

TYR

CYS

4

PRO

HIS

CYS

ASN

THR

PHE

GLU

PRO

ILE

5

ALA

GLN

LEU

LYS

GLN

LEU

PRO

GLU

GLY

6

ALA

LYS

PHE

GLN

LYS

ASN

HIS

VAL

SER

PHE

7

MET

GLY

ASN

MET

GLY

GLN

ALA

MET

SER

8

LYS

ALA

TYR

ALA

THR

MET

ILE

ALA

LEU

GLU

9

VAL

GLU

ASP

LYS

MET

VAL

PRO

VAL

MET

PHE

10

ASN

ARG

ILE

HIS

THR

LEU

ARG

LYS

PRO

11

LYS

ASP

GLU

GLN

GLU

LEU

ARG

GLN

ILE

PHE

12

LEU

ASP

GLU

GLY

ILE

ASP

ALA

LYS

PHE

13

ASP

ALA

TYR

ASN

GLY

PHE

ALA

VAL

ASP

14

SER

MET

VAL

ARG

PHE

ASP

LYS

GLN

PHE

15

GLN

ASP

SER

GLY

LEU

THR

GLY

VAL

PRO

ALA

16

VAL

ASN

ARG

TYR

LEU

VAL

GLN

17

GLY

GLN

SER

ALA

LYS

SER

LEU

ASP

GLU

TYR

18

PHE

ASP

LEU

VAL

ASN

TYR

LEU

THR

LEU

19

LYS

Samples:

sample-DsbA-oxidised: DsbA - Bacterial oxidoreductase, [U-95% 13C; U-90% 15N], 0.3 mM; HEPES 10 mM; NaCl 50 mM

conditions_1: pH: 6.8; temperature: 300 K

conditions_2: pH: 6.8; temperature: 320 K

Experiments:

Name	Sample	Sample state	Sample conditions
13C_1H-HSQC	sample-DsbA-oxidised	not available	not available
15N_1H-HSQC	sample-DsbA-oxidised	not available	not available
CBCACONNH	sample-DsbA-oxidised	not available	not available
HNCACB	sample-DsbA-oxidised	not available	not available
HNCA	sample-DsbA-oxidised	not available	not available
HNCO	sample-DsbA-oxidised	not available	not available
HNCACO	sample-DsbA-oxidised	not available	not available
CCONHTOCSY	sample-DsbA-oxidised	not available	not available
HCCONHTOCSY	sample-DsbA-oxidised	not available	not available
HCCH-TOCSY	sample-DsbA-oxidised	not available	not available
13C-NOESY-HSQC	sample-DsbA-oxidised	not available	not available

Software:

SPARKY, UCSF - data visualisation

NMRPipe, NIH - data processing

NMR spectrometers:

VARIAN AVANCE 600 MHz
BRUKER DRX 500 MHz

BMRB	7360
PDB	1BED 2IJY 4DVC
DBJ	BAP04237
EMBL	CAA45977
GB	AAA27568 AAF93212 ABQ20372 ACP04371 ACP08173
REF	NP_229693 WP_000732279 WP_000732281 WP_000732282 WP_000732283
SP	P32557
AlphaFold	P32557