BMRB: 6786

1H, 13C and 15N resonance assignment of an oxidized form (Cys51-Cys198) of methionine sulfoxide reductase A from Escherichia coli

Authors

Coudevylle, N., Antoine, M., Boschi-Muller, S., Branlant, G., Cung, M.

Assembly

MsrA

Entity

1. MsrA (polymer, Thiol state: all disulfide bound), 211 monomers, 23151.44 Da Detail

SLFDKKHLVS PADALPGRNT PMPVATLHAV NGHSMTNVPD GMEIAIFAMG CFWGVERLFW QLPGVYSTAA GYTGGYTPNP TYREVSSGDT GHAEAVRIVY DPSVISYEQL LQVFWENHDP AQGMRQGNDH GTQYRSAIYP LTPEQDAAAR ASLERFQAAM LAADDDRHIT TEIANATPFY YAEDDHQQYL HKNPYGYCGI GGIGVSLPPE A

Formula weight

23151.44 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS51:SG	1:CYS198:SG

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 65.6 %, Completeness (bb): 87.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	65.6 % (1545 of 2354)	56.7 % (685 of 1209)	73.1 % (679 of 929)	83.8 % (181 of 216)
Backbone	87.2 % (1076 of 1234)	82.1 % (349 of 425)	89.7 % (551 of 614)	90.3 % (176 of 195)
Sidechain	48.6 % (637 of 1312)	42.9 % (336 of 784)	58.4 % (296 of 507)	23.8 % (5 of 21)
Aromatic	10.6 % (26 of 246)	12.2 % (15 of 123)	9.2 % (11 of 120)	0.0 % (0 of 3)
Methyl	74.8 % (157 of 210)	82.9 % (87 of 105)	66.7 % (70 of 105)

1. MsrA

SLFDKKHLVS PADALPGRNT PMPVATLHAV NGHSMTNVPD GMEIAIFAMG CFWGVERLFW QLPGVYSTAA GYTGGYTPNP TYREVSSGDT GHAEAVRIVY DPSVISYEQL LQVFWENHDP AQGMRQGNDH GTQYRSAIYP LTPEQDAAAR ASLERFQAAM LAADDDRHIT TEIANATPFY YAEDDHQQYL HKNPYGYCGI GGIGVSLPPE A

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7.1 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MsrA	[U-13C; U-15N]		1 (±0.1) mM

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LACS Plot; CA

Referencing offset: -0.54 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.54 ppm, Outliers: 4 Detail

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Chemical shift reference

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

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LACS Plot; HA

Referencing offset: 0.12 ppm, Outliers: 6 Detail

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Chemical shift reference

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

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LACS Plot; CO

Referencing offset: -0.55 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

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

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Release date

2006-03-09

Citation

1H, 13C and 15N resonance assignment of an oxidized form (Cys51-Cys198) of methionine sulfoxide reductase A from Escherichia coli
Coudevylle, N., Antoine, M., Boschi-Muller, S., Branlant, G., Cung, M.
J. Biomol. NMR (2006), 36 Suppl 1, 19-19, PubMed 16505957 , DOI 10.1007/s10858-005-6049-6 , Abstract

Related entities 1. MsrA, : 1 : 13 : 95 entities Detail

Interaction partners 1. MsrA, : 4 interactors Detail

Experiments performed 9 experiments Detail