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BMRB: 17268

2L59

Solution Structures of Oxidized and Reduced Thioredoxin C from M. tb

Authors

Olson, A.L., Cai, S., Sem, D.S.

Assembly

Thioredoxin C

Entity

1. Thioredoxin C (polymer, Thiol state: all disulfide bound), 116 monomers, 12544.32 Da Detail

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

Formula weight

12544.32 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS37:SG	1:CYS40:SG

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 79.9 %, Completeness (bb): 75.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.9 % (1049 of 1313)	90.5 % (609 of 673)	64.2 % (335 of 522)	89.0 % (105 of 118)
Backbone	75.1 % (512 of 682)	94.3 % (216 of 229)	55.8 % (192 of 344)	95.4 % (104 of 109)
Sidechain	86.5 % (643 of 743)	88.5 % (393 of 444)	85.9 % (249 of 290)	11.1 % (1 of 9)
Aromatic	76.6 % (49 of 64)	90.6 % (29 of 32)	63.3 % (19 of 30)	50.0 % (1 of 2)
Methyl	92.2 % (153 of 166)	92.8 % (77 of 83)	91.6 % (76 of 83)

1. entity

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

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	50 mM
2	Thioredoxin_C	[U-13C; U-15N]	1.2 mM
3	H20	natural abundance	90 %
4	D20	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L59, 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

Entries sharing articles BMRB: 1 entries Detail

BMRB: 17242 released on 2013-06-30
Title Solution Structures of Oxidized and Reduced Thioredoxin C from M. tb

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

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC