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BMRB: 16486

2KO1

Solution NMR structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR148A

Authors

Eletsky, A., Garcia, E., Wang, H., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Lee, H., Prestegard, J.H., Montelione, G.T., Szyperski, T.

Assembly

GTP pyrophosphokinase

Entity

1. GTP pyrophosphokinase (polymer, Thiol state: all free), 88 monomers, 10033.53 × 2 Da Detail

MTDFLAGIRI VGEDKNGMTN QITGVISKFD TNIRTIVLNA KDGIFTCNLM IFVKNTDKLT TLMDKLRKVQ GVFTVERLSN LEHHHHHH

Total weight

20067.06 Da

Max. entity weight

10033.53 Da

Source organism

Chlorobaculum tepidum TLS

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 91.8 %, Completeness (bb): 93.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.8 % (958 of 1044)	92.4 % (497 of 538)	90.5 % (370 of 409)	93.8 % (91 of 97)
Backbone	93.0 % (491 of 528)	92.3 % (168 of 182)	93.4 % (241 of 258)	93.2 % (82 of 88)
Sidechain	90.8 % (543 of 598)	92.4 % (329 of 356)	88.0 % (205 of 233)	100.0 % (9 of 9)
Aromatic	59.5 % (44 of 74)	73.0 % (27 of 37)	45.9 % (17 of 37)
Methyl	100.0 % (116 of 116)	100.0 % (58 of 58)	100.0 % (58 of 58)

1. CtR148A

MTDFLAGIRI VGEDKNGMTN QITGVISKFD TNIRTIVLNA KDGIFTCNLM IFVKNTDKLT TLMDKLRKVQ GVFTVERLSN LEHHHHHH

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	CtR148A	[U-100% 13C; U-100% 15N]	0.3 mM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	calcium chloride	natural abundance	5 mM
5	DTT	natural abundance	10 mM
6	DSS	natural abundance	50 uM
7	sodium azide	natural abundance	0.05 %
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %

Sample #2

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

#	Name	Isotope labeling	Concentration
10	CtR148A	[U-5% 13C; U-100% 15N]	0.5 mM
11	MES	natural abundance	20 mM
12	sodium chloride	natural abundance	200 mM
13	calcium chloride	natural abundance	5 mM
14	DTT	natural abundance	10 mM
15	DSS	natural abundance	50 uM
16	sodium azide	natural abundance	0.05 %
17	D2O	natural abundance	10 %
18	H2O	natural abundance	90 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details labeled/unlabeled protein mixture

#	Name	Isotope labeling	Concentration
19	CtR148A	[U-100% 13C; U-100% 15N]	0.5 mM
20	MES	natural abundance	20 mM
21	sodium chloride	natural abundance	200 mM
22	calcium chloride	natural abundance	5 mM
23	DTT	natural abundance	10 mM
24	DSS	natural abundance	50 uM
25	sodium azide	natural abundance	0.05 %
26	CtR148A	natural abundance	0.5 mM
27	D2O	natural abundance	10 %
28	H2O	natural abundance	90 %

Sample #4

Solvent system 84% H2O/16% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details aligned in polyethylene glycol

#	Name	Isotope labeling	Concentration
29	CtR148A	[U-5% 13C; U-100% 15N]	0.3 mM
30	MES	natural abundance	18 mM
31	sodium chloride	natural abundance	180 mM
32	calcium chloride	natural abundance	4.5 mM
33	DTT	natural abundance	9 mM
34	DSS	natural abundance	45 uM
35	sodium azide	natural abundance	0.045 %
36	polyethylene glycol	natural abundance	4 %
37	D2O	natural abundance	16 %
38	H2O	natural abundance	84 %

Sample #5

Solvent system 86% H2O/14% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details aligned in polyacrylamide gel

#	Name	Isotope labeling	Concentration
39	CtR148A	[U-5% 13C; U-100% 15N]	0.45 mM
40	MES	natural abundance	18 mM
41	sodium chloride	natural abundance	180 mM
42	calcium chloride	natural abundance	4.5 mM
43	DTT	natural abundance	9 mM
44	DSS	natural abundance	45 uM
45	sodium azide	natural abundance	0.045 %
46	polyacrylamide	natural abundance	7 %
47	D2O	natural abundance	14 %
48	H2O	natural abundance	86 %

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: 0.14 ppm, Outliers: 3 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: 0.14 ppm, Outliers: 3 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: -0.12 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: 0.24 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KO1, Strand ID: A, B Detail

Release date

2009-09-28

Citation

Solution NMR structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum
Eletsky, A., Garcia, E., Wang, H., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Lee, H., Prestegard, J., Montelione, G.T., Szyperski, T.
Proteins: Struct. Funct. Genet.

Related entities 1. GTP pyrophosphokinase, : 1 : 1 : 18 entities Detail

Experiments performed 20 experiments Detail

1 1D 15N T1