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BMRB: 19327

2MA4

Solution NMR Structure of yahO protein from Salmonella typhimurium, Northeast Structural Genomics Consortium (NESG) Target StR106

Authors

Xiao, R., Eletsky, A., Zhang, Q., Liu, G., Wang, H., Nwosu, C., Cunningham, K., Ma, L., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Assembly

yahO

Entity

1. yahO (polymer, Thiol state: not present), 78 monomers, 8725.697 Da Detail

AEIMKKTDFD KVASEYTKIG TISTTGEMSP LDAREDLIKK ADEKGADVVV LTSGQTENKI HGTADIYKKK LEHHHHHH

Formula weight

8725.697 Da

Source organism

Salmonella enterica subsp. enterica serovar Typhimurium str. LT2

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 90.8 %, Completeness (bb): 91.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.8 % (810 of 892)	91.6 % (423 of 462)	89.2 % (313 of 351)	93.7 % (74 of 79)
Backbone	91.6 % (427 of 466)	91.9 % (147 of 160)	91.3 % (209 of 229)	92.2 % (71 of 77)
Sidechain	88.8 % (443 of 499)	90.4 % (273 of 302)	86.2 % (168 of 195)	100.0 % (2 of 2)
Aromatic	42.6 % (23 of 54)	55.6 % (15 of 27)	29.6 % (8 of 27)
Methyl	97.6 % (82 of 84)	97.6 % (41 of 42)	97.6 % (41 of 42)

1. StR106

AEIMKKTDFD KVASEYTKIG TISTTGEMSP LDAREDLIKK ADEKGADVVV LTSGQTENKI HGTADIYKKK LEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 1.1 mM [U-13C;15N]-StR106, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	StR106	[U-100% 13C; U-100% 15N]	1.1 mM
2	NaN3	natural abundance	0.02 %
3	DTT	natural abundance	10 mM
4	calcium chloride	natural abundance	5 mM
5	sodium chloride	natural abundance	100 mM
6	ammonium acetate	natural abundance	20 mM
7	DSS	natural abundance	50 uM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 1 mM [5% 13C;U-100% 15N]-StR106, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
10	StR106	[5% 13C; U-100% 15N]	1 mM
11	NaN3	natural abundance	0.02 %
12	DTT	natural abundance	10 mM
13	calcium chloride	natural abundance	5 mM
14	sodium chloride	natural abundance	100 mM
15	ammonium acetate	natural abundance	20 mM
16	DSS	natural abundance	50 uM
17	H2O	natural abundance	90 %
18	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 0.3 mM [U-13C;15N]-StR106, 100% D2O

#	Name	Isotope labeling	Concentration
19	StR106	[U-100% 13C; U-100% 15N]	0.3 mM
20	NaN3	natural abundance	0.02 %
21	DTT	natural abundance	10 mM
22	calcium chloride	natural abundance	5 mM
23	sodium chloride	natural abundance	100 mM
24	ammonium acetate	natural abundance	20 mM
25	DSS	natural abundance	50 uM
26	D2O	natural abundance	100 %

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: 0.08 ppm, Outliers: 3 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: 0.08 ppm, Outliers: 3 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: -0.05 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: -0.13 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MA4, Strand ID: A Detail

Release date

2013-08-25

Citation

Structural and functional characterization of DUF1471 domains of Salmonella proteins SrfN, YdgH/SssB, and YahO
Eletsky, A., Zhang, Q., Liu, G., Wang, H., Nwosu, C., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.
PLoS One (2014), 9, e101787-e101787, PubMed 25010333 , DOI 10.1371/journal.pone.0101787 , Abstract

Related entities 1. yahO, : 1 : 1 : 17 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC