BMRB Entry 50484

Name: S-nitrosated mutant of human thioreodoxin 1 (C32S/C35S/C69S/C73S)
Published: 2021-04-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50484

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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:

S-nitrosated mutant of human thioreodoxin 1 (C32S/C35S/C69S/C73S)

Deposition date:

2020-09-28

Original release date:

2021-04-13

Authors:

Almeida, Vitor; Almeida, Fabio

Citation:

Citation: Almeida, Vitor; Iqbal, Anwar; Almeida, Fabio. "1H, 15N and 13C backbone and side-chain assignments of reduced and S-nitrosated C62only mutant of human thioredoxin" Biomol. NMR Assignments 15, 261-265 (2021).
PubMed: 33751377

Assembly members:

Assembly members:
entity_1, polymer, 105 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MVKQIESKTAFQEALDAAGD KLVVVDFSATWSGPSKMIKP FFHSLSEKYSNVIFLEVDVD DCQDVASESEVKSMPTFQFF KKGQKVGEFSGANKEKLEAT INELV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	457
15N chemical shifts	107
1H chemical shifts	727

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C62onlySNO	1

Entities:

Entity 1, C62onlySNO 105 residues - Formula weight is not available

1

MET

VAL

LYS

GLN

ILE

GLU

SER

LYS

THR

ALA

2

PHE

GLN

GLU

ALA

LEU

ASP

ALA

GLY

ASP

3

LYS

LEU

VAL

ASP

PHE

SER

ALA

THR

4

TRP

SER

GLY

PRO

SER

LYS

MET

ILE

LYS

PRO

5

PHE

HIS

SER

LEU

SER

GLU

LYS

TYR

SER

6

ASN

VAL

ILE

PHE

LEU

GLU

VAL

ASP

VAL

ASP

7

ASP

CYS

GLN

ASP

VAL

ALA

SER

GLU

SER

GLU

8

VAL

LYS

SER

MET

PRO

THR

PHE

GLN

PHE

9

LYS

GLY

GLN

LYS

VAL

GLY

GLU

PHE

SER

10

GLY

ALA

ASN

LYS

GLU

LYS

LEU

GLU

ALA

THR

11

ILE

ASN

GLU

LEU

VAL

Samples:

sample_1: S-nitrosated mutant of human thioredoxin (C32S/C35S/C69S/C73S), [U-99% 13C; U-99% 15N], 300 uM; NaCl 50 mM; Phosphate Buffer 30 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7; pressure: 1 atm; 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 HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 800 MHz
Bruker AVANCE III 900 MHz

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