BMRB: 17575

solution structure of the C domain of Rv0899 from mycobacterium tuberculosis

Authors

Yao, Y., Marassi, F.

Assembly

C domain of Rv0899

Entity

1. C domain of Rv0899 (polymer, Thiol state: free and disulfide bound), 137 monomers, 14034.55 Da Detail

GQAPPGPPAS GPCADLQSAI NAVTGGPIAF GNDGASLIPA AYEILNRVAD KLKACPDARV TINGYTDNTG SEGINIPLSA QRAKIVADYL VARGVAGDHI ATVGLGSVNP IASNATPEGR AKNRRVEIVV NHHHHHH

Formula weight

14034.55 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.2 %, Completeness: 76.9 %, Completeness (bb): 77.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	76.9 % (1109 of 1443)	82.3 % (609 of 740)	65.6 % (370 of 564)	93.5 % (130 of 139)
Backbone	77.1 % (617 of 800)	88.8 % (247 of 278)	63.9 % (253 of 396)	92.9 % (117 of 126)
Sidechain	79.0 % (604 of 765)	78.4 % (362 of 462)	79.0 % (229 of 290)	100.0 % (13 of 13)
Aromatic	35.5 % (22 of 62)	45.2 % (14 of 31)	25.8 % (8 of 31)
Methyl	97.1 % (165 of 170)	94.1 % (80 of 85)	100.0 % (85 of 85)

1. entity

GQAPPGPPAS GPCADLQSAI NAVTGGPIAF GNDGASLIPA AYEILNRVAD KLKACPDARV TINGYTDNTG SEGINIPLSA QRAKIVADYL VARGVAGDHI ATVGLGSVNP IASNATPEGR AKNRRVEIVV NHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-99% 13C; U-99% 15N]		0.5 mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %

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LACS Plot; CA

Referencing offset: 0.12 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.12 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.08 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

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

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Release date

2012-01-03

Citation

Molecular structure and peptidoglycan recognition of Mycobacterium tuberculosis ArfA (Rv0899)
Yao, Y., Barghava, N., Kim, J., Niederweis, M., Marassi, F.M.
J. Mol. Biol. (2012), 416, 208-220, PubMed 22206986 , DOI 10.1016/j.jmb.2011.12.030 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. C domain of Rv0899, : 1 : 4 : 14 entities Detail

Experiments performed 7 experiments Detail