BMRB Entry 11114

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PDB ID: 1x5c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11114
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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

Deposition date: 2010-02-18 Original release date: 2011-02-18

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

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" . ., .-..

Assembly members:
Thioredoxin like domain, polymer, 121 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
Thioredoxin like domain: GSSGSSGPVKVLVGKNFEDV AFDEKKNVFVEFYAPWCGHC KQLAPIWDKLGETYKDHENI VIAKMDSTANEVEAVKVHSF PTLKFFPASADRTVIDYNGE RTLDGFKKFLESGGQSGPSS G

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	519
15N chemical shifts	109
1H chemical shifts	784

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 121 residues - Formula weight is not available

1

GLY

SER

GLY

SER

GLY

PRO

VAL

LYS

2

VAL

LEU

VAL

GLY

LYS

ASN

PHE

GLU

ASP

VAL

3

ALA

PHE

ASP

GLU

LYS

ASN

VAL

PHE

VAL

4

GLU

PHE

TYR

ALA

PRO

TRP

CYS

GLY

HIS

CYS

5

LYS

GLN

LEU

ALA

PRO

ILE

TRP

ASP

LYS

LEU

6

GLY

GLU

THR

TYR

LYS

ASP

HIS

GLU

ASN

ILE

7

VAL

ILE

ALA

LYS

MET

ASP

SER

THR

ALA

ASN

8

GLU

VAL

GLU

ALA

VAL

LYS

VAL

HIS

SER

PHE

9

PRO

THR

LEU

LYS

PHE

PRO

ALA

SER

ALA

10

ASP

ARG

THR

VAL

ILE

ASP

TYR

ASN

GLY

GLU

11

ARG

THR

LEU

ASP

GLY

PHE

LYS

PHE

LEU

12

GLU

SER

GLY

GLN

SER

GLY

PRO

SER

13

GLY

Samples:

sample_1: Thioredoxin like domain, [U-13C; U-15N], 1.2 mM; d-Tris-HCl, [U-2H], 20 mM; sodium chloride 100 mM; d-DTT, [U-2H], 1 mM; sodium azide 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 v0.9044, Kobayashi, N. - data analysis

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

NMR spectrometers:

Bruker AVANCE 900 MHz

BMRB	4302
PDB	1X5C 3UEM
DBJ	BAG53171 BAG54732
EMBL	CAA30112
GB	AAH14504 AIC63098 EAW89691 EAW89694 EAW89696
REF	XP_008011468

Biological Magnetic Resonance Data Bank