BMRB: 15798

Solution structure of Tpx in the oxidized state

Authors

Jin, C., Lu, J.

Assembly

Tpx monomer

Entity

1. Tpx monomer (polymer, Thiol state: all disulfide bound), 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

Entity Connection

disulfide 1 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS60:SG	1:CYS94:SG

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): 94.9 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.1 % (1684 of 1891)	90.1 % (876 of 972)	87.1 % (650 of 746)	91.3 % (158 of 173)
Backbone	94.9 % (940 of 990)	96.8 % (329 of 340)	94.7 % (463 of 489)	91.9 % (148 of 161)
Sidechain	84.9 % (897 of 1056)	86.6 % (547 of 632)	82.5 % (340 of 412)	83.3 % (10 of 12)
Aromatic	18.5 % (24 of 130)	35.4 % (23 of 65)	0.0 % (0 of 64)	100.0 % (1 of 1)
Methyl	100.0 % (210 of 210)	100.0 % (105 of 105)	100.0 % (105 of 105)

1. Tpx

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	[U-13C; U-15N]		1 mM
2	sodium phosphate	natural abundance		20 mM

Hide sample codition

LACS Plot; CA

Referencing offset: 0.0 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

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: 0.0 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

Hide chemical shift referencing parameters

LACS Plot; HA

Referencing offset: -0.05 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

Hide chemical shift referencing parameters

LACS Plot; CO

Referencing offset: 0.28 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

Hide chemical shift referencing parameters

Protein Blocks Logo

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

---

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

Show more 1 citaion

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

Hide non-primary 1 citaion

Entries sharing articles BMRB: 1 entries Detail

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

Interaction partners 1. Tpx monomer, : 1 interactors Detail

Experiments performed 2 experiments Detail