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BMRB: 15791

2K49

Solution NMR Structure of UPF0339 Protein SO3888 from Shewanella Oneidensis. Northeast Structural Genomics Consortium Target SoR190

Authors

Tang, Y., Wang, D., Nwosu, C., Maglaqui, M., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T.

Assembly

SoR190

Entity

1. SoR190 (polymer, Thiol state: all free), 118 monomers, 13083.45 Da Detail

MSGWYELSKS SNDQFKFVLK AGNGEVILTS ELYTGKSGAM NGIESVQTNS PIEARYAKEV AKNDKPYFNL KAANHQIIGT SQMYSSTAAR DNGIKSVMEN GKTTTIKDLT LEHHHHHH

Formula weight

13083.45 Da

Source organism

Shewanella oneidensis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 95.8 %, Completeness: 91.8 %, Completeness (bb): 94.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.8 % (1240 of 1351)	91.4 % (640 of 700)	91.6 % (477 of 521)	94.6 % (123 of 130)
Backbone	94.3 % (664 of 704)	93.4 % (227 of 243)	94.8 % (327 of 345)	94.8 % (110 of 116)
Sidechain	89.9 % (680 of 756)	90.4 % (413 of 457)	89.1 % (254 of 285)	92.9 % (13 of 14)
Aromatic	60.0 % (66 of 110)	60.0 % (33 of 55)	59.3 % (32 of 54)	100.0 % (1 of 1)
Methyl	100.0 % (112 of 112)	100.0 % (56 of 56)	100.0 % (56 of 56)

1. SoR190

MSGWYELSKS SNDQFKFVLK AGNGEVILTS ELYTGKSGAM NGIESVQTNS PIEARYAKEV AKNDKPYFNL KAANHQIIGT SQMYSSTAAR DNGIKSVMEN GKTTTIKDLT LEHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	SoR190	[U-100% 13C; U-100% 15N]	1.3 mM
2	CaCl2	natural abundance	5 mM
3	sodium chloride	natural abundance	100 mM
4	ammonium acetate	natural abundance	20 mM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.02 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	SoR190	[U-5% 13C; U-100% 15N]	1.3 mM
8	CaCl2	natural abundance	5 mM
9	sodium chloride	natural abundance	100 mM
10	ammonium acetate	natural abundance	20 mM
11	DTT	natural abundance	10 mM
12	NaN3	natural abundance	0.02 %

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: 0.07 ppm, Outliers: 1 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: 0.07 ppm, Outliers: 1 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: -0.08 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: 0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K49, Strand ID: A Detail

Release date

2008-08-07

Citation

Solution NMR Structure of UPF0339 Protein SO3888 from Shewanella Oneidensis
Tang, Y., Wang, D., Nwosu, C., Maglaqui, M., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T.
Not known

Related entities 1. SoR190, : 1 : 1 : 14 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC