BMRB Entry 51150

Name: Apo Thioredoxin
Published: 2024-08-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51150

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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:

Apo Thioredoxin

Deposition date:

2021-10-21

Original release date:

2024-08-09

Authors:

Kim, Ju-Sim; Born, Alexandra; Till, James; Liu, Lin; Kent, Sashi; Henen, Morkos; Vogeli, Beat; Vazquez-Torres, Andres

Citation:

Citation: Kim, Ju-Sim; Born, Alexandra; Till, James; Liu, Lin; Kent, Sashi; Henen, Morkos; Vogeli, Beat; Vazquez-Torres, Andres. "Promiscuity of response regulators for thioredoxin steers bacterial virulence" Nat. Commun. 13, 6210-6210 (2022).
PubMed: 36266276

Assembly members:

Assembly members:
entity_1, polymer, 108 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Salmonella enterica Taxonomy ID: 28901 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SDKIIHLTDDSFDTDVLKAD GAILVDFWAEWCGPCKMIAP ILDEIADEYQGKLTVAKLNI DQNPGTAPKYGIRGIPTLLL FKNGEVAATKVGALSKGQLK EFLDANLA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	197
15N chemical shifts	99
1H chemical shifts	99

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	thioredoxin	1

Entities:

Entity 1, thioredoxin 108 residues - Formula weight is not available

1

SER

ASP

LYS

ILE

HIS

LEU

THR

ASP

2

SER

PHE

ASP

THR

ASP

VAL

LEU

LYS

ALA

ASP

3

GLY

ALA

ILE

LEU

VAL

ASP

PHE

TRP

ALA

GLU

4

TRP

CYS

GLY

PRO

CYS

LYS

MET

ILE

ALA

PRO

5

ILE

LEU

ASP

GLU

ILE

ALA

ASP

GLU

TYR

GLN

6

GLY

LYS

LEU

THR

VAL

ALA

LYS

LEU

ASN

ILE

7

ASP

GLN

ASN

PRO

GLY

THR

ALA

PRO

LYS

TYR

8

GLY

ILE

ARG

GLY

ILE

PRO

THR

LEU

9

PHE

LYS

ASN

GLY

GLU

VAL

ALA

THR

LYS

10

VAL

GLY

ALA

LEU

SER

LYS

GLY

GLN

LEU

LYS

11

GLU

PHE

LEU

ASP

ALA

ASN

LEU

ALA

Samples:

sample_1: Thioredoxin, [U-98% 13C; U-98% 15N], 1.5 mM; potassium phosphate 20 mM; sodium chloride 50 mM; D2O, [U-99% 2H], 3%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe - processing

NMRDraw - processing

CcpNMR - chemical shift assignment

NMR spectrometers:

Varian Avance 600 MHz

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