BMRB Entry 11100

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PDB ID: 2dml
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11100
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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 first thioredoxin domain of mouse Protein disulfide-isomerase A6

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 first thioredoxin domain of mouse Protein disulfide-isomerase A6" .

Assembly members:

Assembly members:
1st thioredoxin domain, polymer, 130 residues, Formula weight is not available

Natural source:

Natural source: Common Name: house mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free Vector: P050509-11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
1st thioredoxin domain: GSSGSSGAVSGLYSSSDDVI ELTPSNFNREVIQSDGLWLV EFYAPWCGHCQRLTPEWKKA ATALKDVVKVGAVNADKHQS LGGQYGVQGFPTIKIFGANK NKPEDYQGGRTGEAIVDAAL SALRSGPSSG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	536
15N chemical shifts	128
1H chemical shifts	825

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	1st thioredoxin domain	1

Entities:

Entity 1, 1st thioredoxin domain 130 residues - Formula weight is not available

1	GLY	SER	SER	GLY	SER	SER	GLY	ALA	VAL	SER
2	GLY	LEU	TYR	SER	SER	SER	ASP	ASP	VAL	ILE
3	GLU	LEU	THR	PRO	SER	ASN	PHE	ASN	ARG	GLU
4	VAL	ILE	GLN	SER	ASP	GLY	LEU	TRP	LEU	VAL
5	GLU	PHE	TYR	ALA	PRO	TRP	CYS	GLY	HIS	CYS
6	GLN	ARG	LEU	THR	PRO	GLU	TRP	LYS	LYS	ALA
7	ALA	THR	ALA	LEU	LYS	ASP	VAL	VAL	LYS	VAL
8	GLY	ALA	VAL	ASN	ALA	ASP	LYS	HIS	GLN	SER
9	LEU	GLY	GLY	GLN	TYR	GLY	VAL	GLN	GLY	PHE
10	PRO	THR	ILE	LYS	ILE	PHE	GLY	ALA	ASN	LYS
11	ASN	LYS	PRO	GLU	ASP	TYR	GLN	GLY	GLY	ARG
12	THR	GLY	GLU	ALA	ILE	VAL	ASP	ALA	ALA	LEU
13	SER	ALA	LEU	ARG	SER	GLY	PRO	SER	SER	GLY

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

BMRB Entry 11100

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

1	GLY	SER	SER	GLY	SER	SER	GLY	ALA	VAL	SER
2	GLY	LEU	TYR	SER	SER	SER	ASP	ASP	VAL	ILE
3	GLU	LEU	THR	PRO	SER	ASN	PHE	ASN	ARG	GLU
4	VAL	ILE	GLN	SER	ASP	GLY	LEU	TRP	LEU	VAL
5	GLU	PHE	TYR	ALA	PRO	TRP	CYS	GLY	HIS	CYS
6	GLN	ARG	LEU	THR	PRO	GLU	TRP	LYS	LYS	ALA
7	ALA	THR	ALA	LEU	LYS	ASP	VAL	VAL	LYS	VAL
8	GLY	ALA	VAL	ASN	ALA	ASP	LYS	HIS	GLN	SER
9	LEU	GLY	GLY	GLN	TYR	GLY	VAL	GLN	GLY	PHE
10	PRO	THR	ILE	LYS	ILE	PHE	GLY	ALA	ASN	LYS
11	ASN	LYS	PRO	GLU	ASP	TYR	GLN	GLY	GLY	ARG
12	THR	GLY	GLU	ALA	ILE	VAL	ASP	ALA	ALA	LEU
13	SER	ALA	LEU	ARG	SER	GLY	PRO	SER	SER	GLY

1	GLY	SER	SER	GLY	SER	SER	GLY	ALA	VAL	SER
2	GLY	LEU	TYR	SER	SER	SER	ASP	ASP	VAL	ILE
3	GLU	LEU	THR	PRO	SER	ASN	PHE	ASN	ARG	GLU
4	VAL	ILE	GLN	SER	ASP	GLY	LEU	TRP	LEU	VAL
5	GLU	PHE	TYR	ALA	PRO	TRP	CYS	GLY	HIS	CYS
6	GLN	ARG	LEU	THR	PRO	GLU	TRP	LYS	LYS	ALA
7	ALA	THR	ALA	LEU	LYS	ASP	VAL	VAL	LYS	VAL
8	GLY	ALA	VAL	ASN	ALA	ASP	LYS	HIS	GLN	SER
9	LEU	GLY	GLY	GLN	TYR	GLY	VAL	GLN	GLY	PHE
10	PRO	THR	ILE	LYS	ILE	PHE	GLY	ALA	ASN	LYS
11	ASN	LYS	PRO	GLU	ASP	TYR	GLN	GLY	GLY	ARG
12	THR	GLY	GLU	ALA	ILE	VAL	ASP	ALA	ALA	LEU
13	SER	ALA	LEU	ARG	SER	GLY	PRO	SER	SER	GLY

1	GLY	SER	SER	GLY	SER	SER	GLY	ALA	VAL	SER
2	GLY	LEU	TYR	SER	SER	SER	ASP	ASP	VAL	ILE
3	GLU	LEU	THR	PRO	SER	ASN	PHE	ASN	ARG	GLU
4	VAL	ILE	GLN	SER	ASP	GLY	LEU	TRP	LEU	VAL
5	GLU	PHE	TYR	ALA	PRO	TRP	CYS	GLY	HIS	CYS
6	GLN	ARG	LEU	THR	PRO	GLU	TRP	LYS	LYS	ALA
7	ALA	THR	ALA	LEU	LYS	ASP	VAL	VAL	LYS	VAL
8	GLY	ALA	VAL	ASN	ALA	ASP	LYS	HIS	GLN	SER
9	LEU	GLY	GLY	GLN	TYR	GLY	VAL	GLN	GLY	PHE
10	PRO	THR	ILE	LYS	ILE	PHE	GLY	ALA	ASN	LYS
11	ASN	LYS	PRO	GLU	ASP	TYR	GLN	GLY	GLY	ARG
12	THR	GLY	GLU	ALA	ILE	VAL	ASP	ALA	ALA	LEU
13	SER	ALA	LEU	ARG	SER	GLY	PRO	SER	SER	GLY