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BMRB: 25451

2MYG

Solution structure of the dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei

Authors

Sturlese, M., Stefani, M., Manta, B., Mammi, S., Comini, M., Bellanda, M.

Assembly

dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei

Entity

1. dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei (polymer, Thiol state: all free), 97 monomers, 10704.25 Da Detail

GAMPSIASMI KGNKVVVFSW VTCPYCVRAE KLLHARTKDI TVHYVDKMSE GEQLRGEIYQ AYKHETVPAI FINGNFIGGC SDLEALDKEG KLDGLLS

Formula weight

10704.25 Da

Source organism

Trypanosoma brucei

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.9 %, Completeness: 92.7 %, Completeness (bb): 94.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.7 % (1035 of 1117)	92.7 % (535 of 577)	92.5 % (407 of 440)	93.0 % (93 of 100)
Backbone	94.4 % (544 of 576)	92.5 % (185 of 200)	96.5 % (272 of 282)	92.6 % (87 of 94)
Sidechain	91.6 % (576 of 629)	92.8 % (350 of 377)	89.4 % (220 of 246)	100.0 % (6 of 6)
Aromatic	80.2 % (69 of 86)	93.0 % (40 of 43)	66.7 % (28 of 42)	100.0 % (1 of 1)
Methyl	92.1 % (105 of 114)	93.0 % (53 of 57)	91.2 % (52 of 57)

1. entity

GAMPSIASMI KGNKVVVFSW VTCPYCVRAE KLLHARTKDI TVHYVDKMSE GEQLRGEIYQ AYKHETVPAI FINGNFIGGC SDLEALDKEG KLDGLLS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	150 mM
3	DTT	natural abundance	10 mM
4	EDTA	natural abundance	1 mM
5	sodium azide	natural abundance	0.05 %
6	PMSF	natural abundance	0.2 mM
7	Tb 2-C-Grx1	[U-13C; U-15N]	1 mM
8	D2O	natural abundance	95 %
9	H2O	natural abundance	5 %

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: 0.1 ppm, Outliers: 2 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: 0.1 ppm, Outliers: 2 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: -0.01 ppm, Outliers: 4 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: 0.09 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2015-10-22

Citation

¹H, ¹³C and ¹⁵N resonance assignment of the cytosolic dithiol glutaredoxin 1 from the pathogen Trypanosoma brucei
Stefani, M., Sturlese, M., Manta, B., Mammi, S., Comini, M.A., Bellanda, M., Stefani, M., Sturlese, M., Manta, B., Mammi, S., Comini, M.A., Bellanda, M.
Biomol. NMR Assign. (2015), 10, 85-88, PubMed 26386962 , DOI 10.1007/s12104-015-9643-x , Abstract

Related entities 1. dithiolic glutaredoxin 2-C-Grx1 from the pathogen Trypanosoma brucei brucei, : 1 : 255 entities Detail

Experiments performed 14 experiments Detail

1 3D HNCACB