BMRB: 11100

The solution structure of the first thioredoxin domain of mouse Protein disulfide-isomerase A6

Authors

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

Assembly

Protein disulfide-isomerase A6

Entity

1. Protein disulfide-isomerase A6 (polymer, Thiol state: all free), 130 monomers, 13661.00 Da Detail

GSSGSSGAVS GLYSSSDDVI ELTPSNFNRE VIQSDGLWLV EFYAPWCGHC QRLTPEWKKA ATALKDVVKV GAVNADKHQS LGGQYGVQGF PTIKIFGANK NKPEDYQGGR TGEAIVDAAL SALRSGPSSG

Formula weight

13661.0 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.9 %, Completeness: 95.3 %, Completeness (bb): 94.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	95.3 % (1355 of 1422)	94.1 % (690 of 733)	97.1 % (535 of 551)	94.2 % (130 of 138)
Backbone	94.8 % (728 of 768)	93.7 % (254 of 271)	96.0 % (358 of 373)	93.5 % (116 of 124)
Sidechain	96.0 % (736 of 767)	94.4 % (436 of 462)	98.3 % (286 of 291)	100.0 % (14 of 14)
Aromatic	98.3 % (114 of 116)	98.3 % (57 of 58)	98.2 % (54 of 55)	100.0 % (3 of 3)
Methyl	100.0 % (130 of 130)	100.0 % (65 of 65)	100.0 % (65 of 65)

1. 1st thioredoxin domain

GSSGSSGAVS GLYSSSDDVI ELTPSNFNRE VIQSDGLWLV EFYAPWCGHC QRLTPEWKKA ATALKDVVKV GAVNADKHQS LGGQYGVQGF PTIKIFGANK NKPEDYQGGR TGEAIVDAAL SALRSGPSSG

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; 90% H2O, 10% D2O

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

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LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 3 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: -0.2 ppm, Outliers: 3 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: -0.01 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; CO

Referencing offset: 0.16 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: 2DML, Strand ID: A Detail

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Release date

2011-02-16

Citation

The solution structure of the first thioredoxin domain of mouse Protein disulfide-isomerase A6
Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Protein disulfide-isomerase A6, : 1 : 2 : 198 entities Detail

Interaction partners 1. Protein disulfide-isomerase A6, : 9 interactors Detail

Experiments performed 2 experiments Detail