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BMRB: 18485

2LTK

Solution structure of a monomeric truncated mutant of Trypanosoma brucei 1-C-Grx1

Authors

Bellanda, M., Pavan, C., Gesiot, L., Comini, M., Manta, B., Mammi, S., Sturlese, M.

Assembly

Tb 1-C-Grx1 monomer

Entity

1. Tb 1-C-Grx1 monomer (polymer, Thiol state: all free), 110 monomers, 12309.32 Da Detail

GAMVKKDIDD TIKSEDVVTF IKGLPEAPMC AYSKRMIDVL EALGLEYTSF DVLAHPVVRS YVKEVSEWPT IPQLFIKAEF VGGLDIVTKM LESGDLKKML RDKGITCRDL

Formula weight

12309.32 Da

Source organism

Trypanosoma brucei

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 97.2 %, Completeness (bb): 97.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.2 % (1259 of 1295)	98.4 % (660 of 671)	95.9 % (496 of 517)	96.3 % (103 of 107)
Backbone	97.7 % (635 of 650)	96.8 % (215 of 222)	98.8 % (319 of 323)	96.2 % (101 of 105)
Sidechain	97.2 % (727 of 748)	99.1 % (445 of 449)	94.3 % (280 of 297)	100.0 % (2 of 2)
Aromatic	82.5 % (66 of 80)	100.0 % (40 of 40)	64.1 % (25 of 39)	100.0 % (1 of 1)
Methyl	97.9 % (141 of 144)	100.0 % (72 of 72)	95.8 % (69 of 72)

1. 1-C-Grx1

GAMVKKDIDD TIKSEDVVTF IKGLPEAPMC AYSKRMIDVL EALGLEYTSF DVLAHPVVRS YVKEVSEWPT IPQLFIKAEF VGGLDIVTKM LESGDLKKML RDKGITCRDL

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Tb 1-C-Grx1	[U-13C; U-15N]	1 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	natural abundance	10 mM
5	H2O	natural abundance	90 %
6	D2O	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: -0.26 ppm, Outliers: 3 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: -0.26 ppm, Outliers: 3 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: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.05 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2013-04-01

Citation

Iron-sulfur cluster binding by mitochondrial monothiol glutaredoxin-1 of Trypanosoma brucei: molecular basis of iron-sulfur cluster coordination and relevance for parasite infectivity
Manta, B., Pavan, C., Sturlese, M., Medeiros, A., Crispo, M., Berndt, C., Krauth-Siegel, R.LUISE., Bellanda, M., Comini, M.A.
Antioxid. Redox Signal. (2013), 19, 665-682, PubMed 23259530 , DOI 10.1089/ars.2012.4859 , Abstract

Related entities 1. Tb 1-C-Grx1 monomer, : 1 : 1 : 228 entities Detail

Experiments performed 15 experiments Detail

1 3D HNCACB