BMRB: 16860

Solution NMR structure of holo acyl carrier protein from Geobacter metallireducens refined with NH RDCs. Northeast Structural Genomics Consortium Target GmR141.

Authors

Ramelot, T.A., Smola, M.J., Zhao, L., Ciccosanti, C., Foote, E.L., Hamilton, K., Nair, R., Rost, B., Swapna, G., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

holo acyl carrier protein

Entity

1. holo acyl carrier protein (polymer, Thiol state: not present), 86 monomers, 9875.109 Da Detail

PTLDALTPIF RQVFDDDSIV LTRETSANDI DAWDSLSHMN LIVSLEVHYK IKFALGELQK LKNVGDLADL VDKKLARKLE HHHHHH

2. PNS (non-polymer, Thiol state: not present), 358.348 Da

Total weight

10233.457 Da

Max. entity weight

9875.109 Da

Source organism

Geobacter metallireducens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.3 %, Completeness: 92.8 %, Completeness (bb): 92.8 % Detail

Download

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	92.8 % (947 of 1020)	93.3 % (490 of 525)	92.1 % (373 of 405)	93.3 % (84 of 90)
Backbone	92.8 % (475 of 512)	93.6 % (161 of 172)	92.2 % (236 of 256)	92.9 % (78 of 84)
Sidechain	93.1 % (551 of 592)	93.2 % (329 of 353)	92.7 % (216 of 233)	100.0 % (6 of 6)
Aromatic	70.7 % (58 of 82)	68.3 % (28 of 41)	72.5 % (29 of 40)	100.0 % (1 of 1)
Methyl	100.0 % (116 of 116)	100.0 % (58 of 58)	100.0 % (58 of 58)

1. holo acyl carrier protein

PTLDALTPIF RQVFDDDSIV LTRETSANDI DAWDSLSHMN LIVSLEVHYK IKFALGELQK LKNVGDLADL VDKKLARKLE HHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	MES	natural abundance		20 (±1.0) mM
2	sodium chloride	natural abundance		100 (±10.0) mM
3	calcium chloride	natural abundance		5 (±0.25) mM
4	DTT	natural abundance		100 (±1.0) mM
5	sodium azide	natural abundance		0.02 (±0.001) %
6	protein	[U-100% 13C; U-100% 15N]		0.74 (±0.05) mM
7	H2O	natural abundance		95 %
8	D2O	natural abundance		5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
9	MES	natural abundance		20 (±1.0) mM
10	sodium chloride	natural abundance		100 (±5.0) mM
11	calcium chloride	natural abundance		5 (±0.25) mM
12	DTT	natural abundance		100 (±1.0) mM
13	sodium azide	natural abundance		0.02 (±0.001) %
14	protein	[U-100% 13C; U-100% 15N]		.74 (±0.05) mM
15	D2O	natural abundance		100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
16	MES	natural abundance		20 (±1.0) mM
17	sodium chloride	natural abundance		100 (±10.0) mM
18	calcium chloride	natural abundance		5 (±0.25) mM
19	DTT	natural abundance		100 (±1.0) mM
20	sodium azide	natural abundance		0.02 (±0.001) %
21	protein	[U-5% 13C; U-100% 15N]		0.83 (±0.05) mM
22	H2O	natural abundance		95 %
23	D2O	natural abundance		5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
24	MES	natural abundance		20 (±1.0) mM
25	sodium chloride	natural abundance		100 (±10.0) mM
26	calcium chloride	natural abundance		5 (±0.25) mM
27	DTT	natural abundance		100 (±1.0) mM
28	sodium azide	natural abundance		0.02 (±0.001) %
29	protein	[U-100% 13C; U-100% 15N]		0.5 (±0.05) mM
30	H2O	natural abundance		95 %
31	D2O	natural abundance		5 %

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
32	MES	natural abundance		20 (±1.0) mM
33	sodium chloride	natural abundance		5400 (±10.0) mM
34	calcium chloride	natural abundance		5 (±0.25) mM
35	DTT	natural abundance		100 (±1.0) mM
36	sodium azide	natural abundance		0.02 (±0.001) %
37	protein	[U-5% 13C; U-100% 15N]		0.5 (±0.05) mM
38	H2O	natural abundance		95 %
39	D2O	natural abundance		5 %

Sample #6

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
40	MES	natural abundance		20 (±1.0) mM
41	sodium chloride	natural abundance		100 (±10.0) mM
42	calcium chloride	natural abundance		5 (±0.25) mM
43	DTT	natural abundance		100 (±1.0) mM
44	sodium azide	natural abundance		0.02 (±0.001) %
45	protein	[U-100% 13C; U-100% 15N]		0.74 (±0.05) mM
46	H2O	natural abundance		95 %
47	D2O	natural abundance		5 %

Hide sample codition

Protein Blocks Logo

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

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Release date

2010-04-28

Citation

Solution NMR structure of holo acyl carrier protein from Geobacter metallireducens refined with NH RDCs. Northeast Structural Genomics Consortium Target GmR141
Ramelot, T.A., Smola, M.J., Zhao, L., Ciccosanti, C., Foote, E.L., Hamilton, K., Nair, R., Swapna, G., Acton, T.B., Xiao, R., Everett, J.T., Montelione, G.K., Kennedy, M.A.
Not known

Related entities 1. holo acyl carrier protein, : 1 : 8 entities Detail

Experiments performed 20 experiments Detail