BMRB: 7109

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

Authors

Xu, H., Jin, C.

Assembly

TrxA monomer

Entity

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

MAIVKATDQS FSAETSEGVV LADFWAPWCG PCKMIAPVLE ELDQEMGDKL KIVKIDVDEN QETAGKYGVM SIPTLLVLKD GEVVETSVGF KPKEALQELV NKHL

Formula weight

11393.04 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS29:SG	1:CYS32:SG

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.7 %, Completeness (bb): 98.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	91.7 % (1100 of 1200)	91.9 % (570 of 620)	89.9 % (425 of 473)	98.1 % (105 of 107)
Backbone	98.0 % (602 of 614)	98.1 % (206 of 210)	98.0 % (299 of 305)	98.0 % (97 of 99)
Sidechain	87.0 % (594 of 683)	88.8 % (364 of 410)	83.8 % (222 of 265)	100.0 % (8 of 8)
Aromatic	33.3 % (22 of 66)	60.6 % (20 of 33)	0.0 % (0 of 31)	100.0 % (2 of 2)
Methyl	93.3 % (125 of 134)	95.5 % (64 of 67)	91.0 % (61 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 6.85 (±0.1)

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

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LACS Plot; CA

Referencing offset: -0.57 ppm, Outliers: 2 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: -0.57 ppm, Outliers: 2 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: -0.12 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	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.15 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: 2GZZ, 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