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BMRB: 19087

2M5Y

The NMR chemical shift assignments for backbone 1H, 13C, and 15N of VirR (Rv0431)

Authors

Huang, C., Wang, T., Li, H.

Assembly

C-terminal RV0431

Entity

1. C-terminal RV0431 (polymer, Thiol state: not present), 366 monomers, 36979.31 Da Detail

GSSPNSEDDS SAISTMTTTT AAPTSTSVKP AAPRAEVRVY NISGTEGAAA RTADRLKAAG FTVTDVGNLS LPDVAATTVY YTEVEGERAT ADAVGRTLGA AVELRLPELS DQPPGVIVVV TGGSSPNSED DSSAISTMTT TTAAPTSTSV KPAAPRAEVR VYNISGTEGA AARTADRLKA AGFTVTDVGN LSLPDVAATT VYYTEVEGER ATADAVGRTL GAAVELRLPE LSDQPPGVIV VVTGGSSPNS EDDSSAISTM TTTTAAPTST SVKPAAPRAE VRVYNISGTE GAAARTADRL KAAGFTVTDV GNLSLPDVAA TTVYYTEVEG ERATADAVGR TLGAAVELRL PELSDQPPGV IVVVTG

Formula weight

36979.31 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 41.5 %, Completeness: 28.6 %, Completeness (bb): 34.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	28.6 % (1057 of 3699)	27.0 % (503 of 1860)	28.8 % (427 of 1485)	35.9 % (127 of 354)
Backbone	34.5 % (742 of 2148)	36.9 % (272 of 738)	32.1 % (343 of 1068)	37.1 % (127 of 342)
Sidechain	22.7 % (429 of 1887)	20.6 % (231 of 1122)	26.3 % (198 of 753)	0.0 % (0 of 12)
Aromatic	0.0 % (0 of 102)	0.0 % (0 of 51)	0.0 % (0 of 51)
Methyl	29.2 % (147 of 504)	31.0 % (78 of 252)	27.4 % (69 of 252)

1. entity

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	C-terminal RV0431	[U-100% 13C; U-100% 15N]
2	potassium phosphate	natural abundance	0.5 mM
3	H2O	natural abundance	90 %
4	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: 0.02 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: 0.02 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: -0.1 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: 0.18 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M5Y, Strand ID: A Detail

Release date

2014-02-23

Citation

Genetic regulation of vesiculogenesis and immunomodulation in Mycobacterium tuberculosis
Rath, P., Huang, C., Wang, T., Wang, T., Li, H., Prados-Rosales, R., Elemento, O., Casadevall, A., Nathan, C.F.
Proc. Natl. Acad. Sci. U. S. A. (2013), 110, E4790-E4797, PubMed 24248369 , DOI 10.1073/pnas.1320118110 , Abstract

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC