BMRB Entry 11109

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PDB ID: 2dj3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11109
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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:

The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4

Deposition date:

2010-02-18

Original release date:

2011-02-18

Authors:

Tochio, N.; Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.

Citation:

Citation: Tochio, N.; Sato, M.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "The solution structure of the third thioredoxin domain of mouse Protein disulfide-isomerase A4" .

Assembly members:

Assembly members:
3rd thioredoxin domain, polymer, 133 residues, Formula weight is not available

Natural source:

Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryotae Kingdom: Metazoause Genus/species: Mus musculusse

Experimental source:

Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free Vector: P050425-15

Entity Sequences (FASTA):

Entity Sequences (FASTA):
3rd thioredoxin domain: GSSGSSGPVKVVVGKTFDAI VMDPKKDVLIEFYAPWCGHC KQLEPIYTSLGKKYKGQKDL VIAKMDATANDITNDQYKVE GFPTIYFAPSGDKKNPIKFE GGNRDLEHLSKFIDEHATKR SRTKEELSGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	575
15N chemical shifts	122
1H chemical shifts	859

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	3rd thioredoxin domain	1

Entities:

Entity 1, 3rd thioredoxin domain 133 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

PRO

VAL

LYS

2

VAL

GLY

LYS

THR

PHE

ASP

ALA

ILE

3

VAL

MET

ASP

PRO

LYS

ASP

VAL

LEU

ILE

4

GLU

PHE

TYR

ALA

PRO

TRP

CYS

GLY

HIS

CYS

5

LYS

GLN

LEU

GLU

PRO

ILE

TYR

THR

SER

LEU

6

GLY

LYS

TYR

LYS

GLY

GLN

LYS

ASP

LEU

7

VAL

ILE

ALA

LYS

MET

ASP

ALA

THR

ALA

ASN

8

ASP

ILE

THR

ASN

ASP

GLN

TYR

LYS

VAL

GLU

9

GLY

PHE

PRO

THR

ILE

TYR

PHE

ALA

PRO

SER

10

GLY

ASP

LYS

ASN

PRO

ILE

LYS

PHE

GLU

11

GLY

ASN

ARG

ASP

LEU

GLU

HIS

LEU

SER

12

LYS

PHE

ILE

ASP

GLU

HIS

ALA

THR

LYS

ARG

13

SER

ARG

THR

LYS

GLU

LEU

SER

GLY

PRO

14

SER

GLY

Samples:

sample_1: Thioredoxin domain, [U-13C; U-15N], 1.3 mM; d-Tris HCl 20 mM; NaCl 100 mM; d-DTT 1 mM; NaN3 0.02%; H2O 90%; D2O 10%

condition_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 296 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-SEPARATED NOESY	sample_1	isotropic	condition_1
3D 13C-SEPARATED NOESY	sample_1	isotropic	condition_1

Software:

xwinnmr v3.5, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

NMRView v5.0.4, Johnson, B.A. - data analysis

Kujira v0.955, Kobayashi, N. - data analysis

CYANA v2.0.17, Guntert, P. - structure solution

NMR spectrometers:

Bruker AVANCE 800 MHz