BMRB: 11102

The solution structure of the second thioredoxin domain of human Protein disulfide-isomerase A3

Authors

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

Assembly

Protein disulfide-isomerase A3

Entity

1. Protein disulfide-isomerase A3 (polymer, Thiol state: all free), 142 monomers, 15678.33 Da Detail

GSSGSSGFDG NLKRYLKSEP IPESNDGPVK VVVAENFDEI VNNENKDVLI EFYAPWCGHC KNLEPKYKEL GEKLSKDPNI VIAKMDATAN DVPSPYEVRG FPTIYFSPAN KKLNPKKYEG GRELSDFISY LQREATSGPS SG

Formula weight

15678.33 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.8 %, Completeness: 94.5 %, Completeness (bb): 94.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.5 % (1557 of 1648)	93.1 % (807 of 867)	96.4 % (615 of 638)	94.4 % (135 of 143)
Backbone	94.1 % (779 of 828)	92.3 % (262 of 284)	95.4 % (395 of 414)	93.8 % (122 of 130)
Sidechain	95.3 % (905 of 950)	93.5 % (545 of 583)	98.0 % (347 of 354)	100.0 % (13 of 13)
Aromatic	95.5 % (126 of 132)	95.5 % (63 of 66)	95.4 % (62 of 65)	100.0 % (1 of 1)
Methyl	100.0 % (120 of 120)	100.0 % (60 of 60)	100.0 % (60 of 60)

1. thioredoxin domain

GSSGSSGFDG NLKRYLKSEP IPESNDGPVK VVVAENFDEI VNNENKDVLI EFYAPWCGHC KNLEPKYKEL GEKLSKDPNI VIAKMDATAN DVPSPYEVRG FPTIYFSPAN KKLNPKKYEG GRELSDFISY LQREATSGPS SG

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: 0.12 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: 0.12 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: 0.0 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: 0.2 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: 2DMM, Strand ID: A Detail

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Release date

2011-02-16

Citation

The solution structure of the second thioredoxin domain of human Protein disulfide-isomerase A3
Tochio, N., Koshiba, S., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. Protein disulfide-isomerase A3, : 1 : 221 entities Detail

Interaction partners 1. Protein disulfide-isomerase A3, : 104 interactors Detail

Experiments performed 2 experiments Detail