BMRB Entry 11102

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PDB ID: 2dmm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11102
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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 domain of human Protein disulfide-isomerase A3

Deposition date:

2010-02-18

Original release date:

2011-02-17

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 domain of human Protein disulfide-isomerase A3" .

Assembly members:

Assembly members:
thioredoxin domain, polymer, 142 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: P050627-10

Entity Sequences (FASTA):

Entity Sequences (FASTA):
thioredoxin domain: GSSGSSGFDGNLKRYLKSEP IPESNDGPVKVVVAENFDEI VNNENKDVLIEFYAPWCGHC KNLEPKYKELGEKLSKDPNI VIAKMDATANDVPSPYEVRG FPTIYFSPANKKLNPKKYEG GRELSDFISYLQREATSGPS SG

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	611
15N chemical shifts	132
1H chemical shifts	925

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	thioredoxin domain	1

Entities:

Entity 1, thioredoxin domain 142 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

PHE

ASP

GLY

2

ASN

LEU

LYS

ARG

TYR

LEU

LYS

SER

GLU

PRO

3

ILE

PRO

GLU

SER

ASN

ASP

GLY

PRO

VAL

LYS

4

VAL

ALA

GLU

ASN

PHE

ASP

GLU

ILE

5

VAL

ASN

GLU

ASN

LYS

ASP

VAL

LEU

ILE

6

GLU

PHE

TYR

ALA

PRO

TRP

CYS

GLY

HIS

CYS

7

LYS

ASN

LEU

GLU

PRO

LYS

TYR

LYS

GLU

LEU

8

GLY

GLU

LYS

LEU

SER

LYS

ASP

PRO

ASN

ILE

9

VAL

ILE

ALA

LYS

MET

ASP

ALA

THR

ALA

ASN

10

ASP

VAL

PRO

SER

PRO

TYR

GLU

VAL

ARG

GLY

11

PHE

PRO

THR

ILE

TYR

PHE

SER

PRO

ALA

ASN

12

LYS

LEU

ASN

PRO

LYS

TYR

GLU

GLY

13

GLY

ARG

GLU

LEU

SER

ASP

PHE

ILE

SER

TYR

14

LEU

GLN

ARG

GLU

ALA

THR

SER

GLY

PRO

SER

15

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 1H-15N NOESY	sample_1	isotropic	condition_1
3D 1H-13C 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 900 MHz

PDB	2DMM
DBJ	BAG56782
GB	ACA57910 EQB77541
REF	XP_004056140