BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	82.4 % (1082 of 1313)	90.6 % (610 of 673)	70.5 % (368 of 522)	88.1 % (104 of 118)
Backbone	80.2 % (547 of 682)	94.3 % (216 of 229)	66.3 % (228 of 344)	94.5 % (103 of 109)
Sidechain	86.4 % (642 of 743)	88.7 % (394 of 444)	85.2 % (247 of 290)	11.1 % (1 of 9)
Aromatic	78.1 % (50 of 64)	93.8 % (30 of 32)	63.3 % (19 of 30)	50.0 % (1 of 2)
Methyl	84.9 % (141 of 166)	89.2 % (74 of 83)	80.7 % (67 of 83)

1. entity

MTDSEKSATI KVTDASFATD VLSSNKPVLV DFWATWCGPC KMVAPVLEEI ATERATDLTV AKLDVDTNPE TARNFQVVSI PTLILFKDGQ PVKRIVGAKG KAALLRELSD VVPNLN

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
3	Thioredoxin C	[U-13C; U-15N]		1.2 mM
4	potassium phosphate	natural abundance		50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: -0.09 ppm, Outliers: 1 Detail

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Calculated from 20 models in PDB: 2L4Q, Strand ID: A Detail

Release date

2013-06-30

Citation

Solution structures of Mycobacterium tuberculosis thioredoxin C and models of intact thioredoxin system suggest new approaches to inhibitor and drug design
Olson, A.L., Neumann, T.S., Cai, S., Sem, D.S.
Proteins (2013), 81, 675-689, PubMed 23229911 , DOI 10.1002/prot.24228 , Abstract

Related entities 1. Thioredoxin C, : 1 : 4 : 2 : 199 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

2 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

3 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

4 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

5 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

6 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

7 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

8 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

9 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

10 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
3	Thioredoxin C	[U-13C; U-15N]		1.2 mM
4	potassium phosphate	natural abundance		50 mM

11 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
1	Thioredoxin C	[U-13C; U-15N]		1.2 mM
2	potassium phosphate	natural abundance		50 mM

12 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.3

#	Name	Isotope labeling	Type	Concentration
3	Thioredoxin C	[U-13C; U-15N]		1.2 mM
4	potassium phosphate	natural abundance		50 mM

nullKeywords M. tb, Trx, TrxC, Tuberculosis

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Found 1 Document (0.927 seconds)

BMRB: 17242

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Thioredoxin C, : 1 : 4 : 2 : 199 entities Detail

Experiments performed 12 experiments Detail

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