BMRB: 15797

Solution structure of Tpx in the reduced state

Authors

Jin, C., Lu, J., Yang, F.

Assembly

monomer

Entity

1. monomer (polymer, Thiol state: all free), 167 monomers, 18215.46 Da Detail

MAEITFKGGP VTLVGQEVKV GDQAPDFTVL TNSLEEKSLA DMKGKVTIIS VIPSIDTGVC DAQTRRFNEE AAKLGDVNVY TISADLPFAQ ARWCGANGID KVETLSDHRD MSFGEAFGVY IKELRLLARS VFVLDENGKV VYAEYVSEAT NHPNYEKPIE AAKALVK

Formula weight

18215.46 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 89.1 %, Completeness (bb): 95.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.1 % (1685 of 1891)	89.2 % (867 of 972)	88.3 % (659 of 746)	91.9 % (159 of 173)
Backbone	95.4 % (944 of 990)	96.2 % (327 of 340)	95.9 % (469 of 489)	91.9 % (148 of 161)
Sidechain	82.9 % (875 of 1056)	83.9 % (530 of 632)	81.3 % (335 of 412)	83.3 % (10 of 12)
Aromatic	20.0 % (26 of 130)	35.4 % (23 of 65)	3.1 % (2 of 64)	100.0 % (1 of 1)
Methyl	99.5 % (209 of 210)	99.0 % (104 of 105)	100.0 % (105 of 105)

1. Tpx monomer

MAEITFKGGP VTLVGQEVKV GDQAPDFTVL TNSLEEKSLA DMKGKVTIIS VIPSIDTGVC DAQTRRFNEE AAKLGDVNVY TISADLPFAQ ARWCGANGID KVETLSDHRD MSFGEAFGVY IKELRLLARS VFVLDENGKV VYAEYVSEAT NHPNYEKPIE AAKALVK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Tpx	natural abundance		1 mM
2	sodium phosphate	natural abundance		20 mM
3	DTT	natural abundance		20 mM

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LACS Plot; CA

Referencing offset: 0.05 ppm, Outliers: 4 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.05 ppm, Outliers: 4 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.08 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.16 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	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

Calculated from 21 models in PDB: 2JSZ, Strand ID: A Detail

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Release date

2008-07-28

Citation 1

1H, 13C, and 15N resonance assignments of the reduced and oxidized forms of Bacillus subtilis thiol peroxidase
Lu, J., Yang, F., Li, Y., Xia, B., Jin, C.
Biomol. NMR Assign. (2008), 2, 183-186, PubMed 19636900 , DOI 10.1007/s12104-008-9116-6 , Abstract

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Citation 2

Reversible conformational switch revealed by the redox structures of Bacillus subtilis thiol peroxidase
Lu, J., Yanga, F., Lia, Y., Zhanga, X., Xia, B., Jin, C.
Biochem. Biophys. Res. Commun. (2008), 373, 414-418, PubMed 18588855 , DOI 10.1016/j.bbrc.2008.06.051 , Abstract

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Related entities 1. monomer, : 1 : 2 : 78 entities Detail

Interaction partners 1. monomer, : 1 interactors Detail

Experiments performed 2 experiments Detail