BMRB: 11107

The solution structure of the third thioredoxin domain of human Thioredoxin domain-containing protein 5

Authors

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

Assembly

Thioredoxin domain-containing protein 5

Entity

1. Thioredoxin domain-containing protein 5 (polymer, Thiol state: all free), 117 monomers, 12771.30 Da Detail

GSSGSSGTVL ALTENNFDDT IAEGITFIKF YAPWCGHCKT LAPTWEELSK KEFPGLAGVK IAEVDCTAER NICSKYSVRG YPTLLLFRGG KKVSEHSGGR DLDSLHRFVL SQAKDEL

Formula weight

12771.3 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 97.5 %, Completeness (bb): 97.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	97.5 % (1293 of 1326)	97.8 % (669 of 684)	97.5 % (510 of 523)	95.8 % (114 of 119)
Backbone	97.0 % (673 of 694)	97.1 % (235 of 242)	97.3 % (330 of 339)	95.6 % (108 of 113)
Sidechain	97.3 % (717 of 737)	97.1 % (429 of 442)	97.6 % (282 of 289)	100.0 % (6 of 6)
Aromatic	98.3 % (118 of 120)	100.0 % (60 of 60)	96.6 % (56 of 58)	100.0 % (2 of 2)
Methyl	96.8 % (120 of 124)	96.8 % (60 of 62)	96.8 % (60 of 62)

1. 3rd thioredoxin domain

GSSGSSGTVL ALTENNFDDT IAEGITFIKF YAPWCGHCKT LAPTWEELSK KEFPGLAGVK IAEVDCTAER NICSKYSVRG YPTLLLFRGG KKVSEHSGGR DLDSLHRFVL SQAKDEL

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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	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: -0.06 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: -0.06 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: -0.03 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: 0.2 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: 2DIZ, Strand ID: A Detail

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Release date

2011-02-17

Citation

The solution structure of the third thioredoxin domain of human Thioredoxin domain-containing protein 5
Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Thioredoxin domain-containing protein 5, : 1 : 5 : 411 entities Detail

Interaction partners 1. Thioredoxin domain-containing protein 5, : 25 interactors Detail

Experiments performed 2 experiments Detail