BMRB Entry 4225

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PDB ID: 3grx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4225
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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:

NMR structure of Escherichia coli glutaredoxin3-glutathione mixed disulfide complex

Deposition date:

1998-08-17

Original release date:

2000-03-09

Authors:

Nordstrand, K.; Aslund, F.; Holmgren, A.; Otting, G.; Berndt, K.

Citation:

Citation: Nordstrand, K.; Aslund, F.; Holmgren, A.; Otting, G.; Berndt, K.. "NMR Structure of Escherichia coli Glutaredoxin 3-glutathione Mixed Disulfide Complex: Implications for the Enzymatic Mechanism" J. Mol. Biol. 286, 541-552 (1999).

Assembly members:

Assembly members:
Glutaredoxin 3, polymer, 83 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Escherichia coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-24D

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Glutaredoxin 3: ANVEIYTKETCPYSHRAKAL LSSKGVSFQELPIDGNAAKR EEMIKRSGRTTVPQIFIDAQ HIGGYDDLYALDARGGLDPL LKX

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
15N chemical shifts	87
1H chemical shifts	501

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Glutaredoxin 3	1

Entities:

Entity 1, Glutaredoxin 3 83 residues - Formula weight is not available

1

ALA

ASN

VAL

GLU

ILE

TYR

THR

LYS

GLU

THR

2

CYS

PRO

TYR

SER

HIS

ARG

ALA

LYS

ALA

LEU

3

LEU

SER

LYS

GLY

VAL

SER

PHE

GLN

GLU

4

LEU

PRO

ILE

ASP

GLY

ASN

ALA

LYS

ARG

5

GLU

MET

ILE

LYS

ARG

SER

GLY

ARG

THR

6

THR

VAL

PRO

GLN

ILE

PHE

ILE

ASP

ALA

GLN

7

HIS

ILE

GLY

TYR

ASP

LEU

TYR

ALA

8

LEU

ASP

ALA

ARG

GLY

LEU

ASP

PRO

LEU

9

LEU

LYS

GSH

Samples:

sample_1: Glutaredoxin 3 2.8 mM

sample_2: Glutaredoxin 3, [U-15N], 5.0 mM

sample_cond_1: ionic strength: 0.05 M; pH: 6.0; pressure: 1 atm; temperature: 301 K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	not available	not available	sample_cond_1

Software:

PROSA v3.6 - spectral FT-transformations; baseline correction

XEASY v1.2 - spectral analysis

NMR spectrometers:

Bruker . 600 MHz

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