BMRB: 11109

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

Authors

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

Assembly

Protein disulfide-isomerase A4

Entity

1. Protein disulfide-isomerase A4 (polymer, Thiol state: all free), 133 monomers, 14627.42 Da Detail

GSSGSSGPVK VVVGKTFDAI VMDPKKDVLI EFYAPWCGHC KQLEPIYTSL GKKYKGQKDL VIAKMDATAN DITNDQYKVE GFPTIYFAPS GDKKNPIKFE GGNRDLEHLS KFIDEHATKR SRTKEELSGP SSG

Formula weight

14627.42 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 94.2 %, Completeness (bb): 94.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.2 % (1456 of 1546)	92.7 % (751 of 810)	96.0 % (579 of 603)	94.7 % (126 of 133)
Backbone	94.1 % (736 of 782)	94.1 % (255 of 271)	94.0 % (363 of 386)	94.4 % (118 of 125)
Sidechain	94.2 % (833 of 884)	92.0 % (496 of 539)	97.6 % (329 of 337)	100.0 % (8 of 8)
Aromatic	98.4 % (122 of 124)	98.4 % (61 of 62)	98.4 % (60 of 61)	100.0 % (1 of 1)
Methyl	98.3 % (118 of 120)	96.7 % (58 of 60)	100.0 % (60 of 60)

1. 3rd thioredoxin domain

GSSGSSGPVK VVVGKTFDAI VMDPKKDVLI EFYAPWCGHC KQLEPIYTSL GKKYKGQKDL VIAKMDATAN DITNDQYKVE GFPTIYFAPS GDKKNPIKFE GGNRDLEHLS KFIDEHATKR SRTKEELSGP SSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05), Details 1.3mM Thioredoxin domain [U-15N,13C]; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin domain	[U-13C; U-15N]	protein	1.3 mM
2	d-Tris HCl	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: 0.16 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.16 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.39 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2DJ3, Strand ID: A Detail

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Release date

2011-02-17

Citation

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

Related entities 1. Protein disulfide-isomerase A4, : 1 : 202 entities Detail

Interaction partners 1. Protein disulfide-isomerase A4, : 18 interactors Detail

Experiments performed 2 experiments Detail