BMRB Entry 11116

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PDB ID: 1x5d
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11116
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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 second thioredoxin-like domain of human Protein disulfide-isomerase A6

Deposition date:

2010-03-31

Original release date:

2011-04-01

Authors:

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

Citation:

Citation: Tochio, N.; Koshiba, S.; Inoue, M.; Kigawa, T.; Yokoyama, S.. "The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase A6" .

Assembly members:

Assembly members:
Thioredoxin like domain, polymer, 133 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: cell free synthesis Host organism: E. coli - cell free Vector: P040628-10

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Thioredoxin like domain: GSSGSSGDVIELTDDSFDKN VLDSEDVWMVEFYAPWCGHC KNLEPEWAAAASEVKEQTKG KVKLAAVDATVNQVLASRYG IRGFPTIKIFQKGESPVDYD GGRTRSDIVSRALDLFSDNA PPPELLESGPSSG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	550
15N chemical shifts	123
1H chemical shifts	837

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Thioredoxin like domain	1

Entities:

Entity 1, Thioredoxin like domain 133 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

ASP

VAL

ILE

2

GLU

LEU

THR

ASP

SER

PHE

ASP

LYS

ASN

3

VAL

LEU

ASP

SER

GLU

ASP

VAL

TRP

MET

VAL

4

GLU

PHE

TYR

ALA

PRO

TRP

CYS

GLY

HIS

CYS

5

LYS

ASN

LEU

GLU

PRO

GLU

TRP

ALA

6

ALA

SER

GLU

VAL

LYS

GLU

GLN

THR

LYS

GLY

7

LYS

VAL

LYS

LEU

ALA

VAL

ASP

ALA

THR

8

VAL

ASN

GLN

VAL

LEU

ALA

SER

ARG

TYR

GLY

9

ILE

ARG

GLY

PHE

PRO

THR

ILE

LYS

ILE

PHE

10

GLN

LYS

GLY

GLU

SER

PRO

VAL

ASP

TYR

ASP

11

GLY

ARG

THR

ARG

SER

ASP

ILE

VAL

SER

12

ARG

ALA

LEU

ASP

LEU

PHE

SER

ASP

ASN

ALA

13

PRO

GLU

LEU

GLU

SER

GLY

PRO

14

SER

GLY

Samples:

sample_1: thioredoxin like domain, [U-13C; U-15N], 1.1 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 v2.6, Bruker - collection

NMRPipe v20031121, Delaglio, F. - processing

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

Kujira v0.9049, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 800 MHz

PDB	1X5D 4GWR
GB	EAX00949
REF	XP_007080745