BMRB: 7108

1H, 13C and 15N chemical shift assignments for TrxA (reduced form) from Bacillus subtilis

Authors

Xu, H., Jin, C.

Assembly

TrxA monomer

Entity

1. TrxA monomer (polymer, Thiol state: all free), 104 monomers, 11393.04 Da Detail

MAIVKATDQS FSAETSEGVV LADFWAPWCG PCKMIAPVLE ELDQEMGDKL KIVKIDVDEN QETAGKYGVM SIPTLLVLKD GEVVETSVGF KPKEALQELV NKHL

Formula weight

11393.04 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 91.4 %, Completeness (bb): 97.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.4 % (1097 of 1200)	89.2 % (553 of 620)	92.6 % (438 of 473)	99.1 % (106 of 107)
Backbone	97.2 % (597 of 614)	96.7 % (203 of 210)	97.0 % (296 of 305)	99.0 % (98 of 99)
Sidechain	87.4 % (597 of 683)	85.4 % (350 of 410)	90.2 % (239 of 265)	100.0 % (8 of 8)
Aromatic	42.4 % (28 of 66)	48.5 % (16 of 33)	32.3 % (10 of 31)	100.0 % (2 of 2)
Methyl	97.0 % (130 of 134)	97.0 % (65 of 67)	97.0 % (65 of 67)

1. TrxA

MAIVKATDQS FSAETSEGVV LADFWAPWCG PCKMIAPVLE ELDQEMGDKL KIVKIDVDEN QETAGKYGVM SIPTLLVLKD GEVVETSVGF KPKEALQELV NKHL

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±0.5) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	TrxA	[U-95% 13C; U-95% 15N]		1.00 (±0.05) mM
2	DTT			20 mM

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LACS Plot; CA

Referencing offset: -0.52 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.52 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.11 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.17 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

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	internal	direct	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: 2GZY, Strand ID: A Detail

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Release date

2008-06-22

Citation

Conformational fluctuations coupled to the thiol-disulfide transfer between thioredoxin and arsenate reductase in Bacillus subtilis
Li, Y., Hu, Y., Zhang, X., Xu, H., Lescop, E., Xia, B., Jin, C.
J. Biol. Chem. (2007), 282, 11078-11083, PubMed 17303556 , DOI 10.1074/jbc.M700970200 , Abstract

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. TrxA monomer, : 1 : 2 : 2 : 266 entities Detail

Interaction partners 1. TrxA monomer, : 1 interactors Detail

Experiments performed 3 experiments Detail