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BMRB: 15834

2K5F

Solution NMR structure of FeoA protein from Chlorobium tepidum. Northeast Structural Genomics Consortium target CtR121

Authors

Eletsky, A., Sathyamoorthy, B., Mills, J.L., Zeri, A., Zhao, L., Hamilton, K., Foote, E.L., Xiao, R., Nair, R., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Assembly

FeoA protein

Entity

1. FeoA protein (polymer, Thiol state: all free), 105 monomers, 11844.57 Da Detail

MKLSELKAGD RAEVTSVAAE PAVRRRLMDL GLVRGAKLKV LRFAPLGDPI EVNCNGMLLT MRRNEAEGIT VHILAGDEGH PHGWPGFRRR HRFGKRALEH HHHHH

Formula weight

11844.57 Da

Source organism

Chlorobaculum tepidum

Exptl. method

solution NMR

Refine. method

simulated annealing, simulated annealing in explicit water bath

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 88.3 %, Completeness (bb): 90.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.3 % (1071 of 1213)	87.3 % (555 of 636)	89.0 % (421 of 473)	91.3 % (95 of 104)
Backbone	90.5 % (561 of 620)	90.3 % (195 of 216)	90.5 % (275 of 304)	91.0 % (91 of 100)
Sidechain	86.8 % (596 of 687)	85.7 % (360 of 420)	88.2 % (232 of 263)	100.0 % (4 of 4)
Aromatic	58.5 % (48 of 82)	58.5 % (24 of 41)	57.5 % (23 of 40)	100.0 % (1 of 1)
Methyl	98.2 % (112 of 114)	96.5 % (55 of 57)	100.0 % (57 of 57)

1. FeoA protein

MKLSELKAGD RAEVTSVAAE PAVRRRLMDL GLVRGAKLKV LRFAPLGDPI EVNCNGMLLT MRRNEAEGIT VHILAGDEGH PHGWPGFRRR HRFGKRALEH HHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	FeoA protein	[U-100% 13C; U-100% 15N]	1.26 mM
2	sodium azide	natural abundance	0.02 %
3	DTT	natural abundance	100 mM
4	calcium chloride	natural abundance	5 mM
5	sodium chloride	natural abundance	100 mM
6	MES	natural abundance	20 mM
7	DSS	natural abundance	50 uM
8	H2O	natural abundance	90 %
9	D2O	[U-100% 2H]	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	FeoA protein	[U-5% 13C; U-100% 15N]	1.26 mM
11	sodium azide	natural abundance	0.02 %
12	DTT	natural abundance	100 mM
13	calcium chloride	natural abundance	5 mM
14	sodium chloride	natural abundance	100 mM
15	MES	natural abundance	20 mM
16	DSS	natural abundance	50 uM
17	H2O	natural abundance	90 %
18	D2O	[U-100% 2H]	10 %

LACS Plot; CA

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

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.03 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.35 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K5F, Strand ID: A Detail

Coupling constant

68 J values in 1 lists
Field strength (¹H) 750 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2008-07-23

Citation

Solution NMR structure of FeoA protein from Chlorobium tepidum. Northeast Structural Genomics Consortium target CtR121
Eletsky, A., Sathyamoorthy, B., Mills, J.L., Zeri, A., Zhao, L., Hamilton, K., Foote, E.L., Xiao, R., Nair, R., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B.L., Montelione, G.T., Szyperski, T.
Proteins: Struct. Funct. Genet.

Related entities 1. FeoA protein, : 1 : 4 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC