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BMRB: 16942

2KY9

Solution NMR Structure () from B.subtilis, Northeast Structural Genomics Consortium Target Target SR518

Authors

Eletsky, A., Sukumaran, D.K., Lee, H., Lee, D., Ciccosanti, C., Janjua, H., Liu, J., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Prestegard, J.H., Montelione, G.T., Szyperski, T.

Assembly

SR518

Entity

1. SR518 (polymer, Thiol state: not present), 132 monomers, 14586.11 Da Detail

MKVGSQVIIN TSHMKGMKGA EATVTGAYDT TAYVVSYTPT NGGQRVDHHK WVIQEEIKDA GDKTLQPGDQ VILEASHMKG MKGATAEIDS AEKTTVYMVD YTSTTSGEKV KNHKWVTEDE LSAKLEHHHH HH

Formula weight

14586.11 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

RDCs, assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 93.4 %, Completeness (bb): 93.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.4 % (1376 of 1474)	92.9 % (702 of 756)	94.5 % (546 of 578)	91.4 % (128 of 140)
Backbone	93.7 % (738 of 788)	92.7 % (253 of 273)	95.1 % (366 of 385)	91.5 % (119 of 130)
Sidechain	93.4 % (754 of 807)	93.0 % (449 of 483)	94.3 % (296 of 314)	90.0 % (9 of 10)
Aromatic	69.4 % (75 of 108)	70.4 % (38 of 54)	69.2 % (36 of 52)	50.0 % (1 of 2)
Methyl	100.0 % (138 of 138)	100.0 % (69 of 69)	100.0 % (69 of 69)

1. SR518

MKVGSQVIIN TSHMKGMKGA EATVTGAYDT TAYVVSYTPT NGGQRVDHHK WVIQEEIKDA GDKTLQPGDQ VILEASHMKG MKGATAEIDS AEKTTVYMVD YTSTTSGEKV KNHKWVTEDE LSAKLEHHHH HH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.4 mM [U-100% 13C; U-100% 15N] SR518, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	SR518	[U-100% 13C; U-100% 15N]	0.4 mM
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	5 mM
4	TRIS	natural abundance	10 mM
5	sodium azide	natural abundance	0.02 %
6	DSS	natural abundance	20 uM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.7 mM [U-5% 13C; U-100% 15N] SR518, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
9	SR518	[U-5% 13C; U-100% 15N]	0.7 mM
10	sodium chloride	natural abundance	100 mM
11	DTT	natural abundance	5 mM
12	TRIS	natural abundance	10 mM
13	sodium azide	natural abundance	0.02 %
14	DSS	natural abundance	20 uM
15	H2O	natural abundance	95 %
16	D2O	natural abundance	5 %

Sample #3

Solvent system 88% H2O/12% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM [U-5% 13C; U-100% 15N] SR518, 88% H2O/12% D2O, aligned in PEG media

#	Name	Isotope labeling	Concentration
17	SR518	[U-5% 13C; U-100% 15N]	0.5 mM
18	sodium chloride	natural abundance	100 mM
19	DTT	natural abundance	5 mM
20	TRIS	natural abundance	10 mM
21	sodium azide	natural abundance	0.02 %
22	DSS	natural abundance	20 uM
23	PEG	natural abundance	3.5 %
24	H2O	natural abundance	88 %
25	D2O	natural abundance	12 %

Sample #4

Solvent system 88% H2O/12% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 0.5 mM [U-5% 13C; U-100% 15N] SR518, 88% H2O/12% D2O aligned in Pf1 phage

#	Name	Isotope labeling	Concentration
26	SR518	[U-5% 13C; U-100% 15N]	0.5 mM
27	sodium chloride	natural abundance	180 mM
28	DTT	natural abundance	3.5 mM
29	TRIS	natural abundance	7 mM
30	sodium azide	natural abundance	0.014 %
31	DSS	natural abundance	14 uM
32	Pf1 phage	natural abundance	10.5 g/L
33	H2O	natural abundance	88 %
34	D2O	natural abundance	12 %

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: 0.26 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: 0.26 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: -0.07 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: 0.45 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KY9, Strand ID: A Detail

RDC

195 RDC values in 2 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 7.5 Detail

Release date

2012-08-01

Related entities 1. SR518, : 1 : 2 : 2 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC