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BMRB: 16612

2KQT

Solid-state NMR structure of the M2 transmembrane peptide of the influenza A virus in DMPC lipid bilayers bound to deuterated amantadine

Authors

Cady, S.D., Schmidt-Rohr, K., Wang, J., Soto, C., DeGrado, W.F., Hong, M.

Assembly

M2-TM amt

Entity

1. M2-TM (polymer, Thiol state: not present), 25 monomers, 2728.276 × 4 Da Detail

SSDPLVVAAS IIGILHLILW ILDRL

2. 308 (non-polymer), 151.249 Da

Total weight

11064.353 Da

Max. entity weight

2728.276 Da

Source organism

Alphainfluenzavirus

Exptl. method

NMR

Refine. method

simulated annealing, Monte Carlo

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 28.0 %, Completeness: 23.8 %, Completeness (bb): 27.6 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	23.8 % (35 of 147)	23.0 % (28 of 122)	28.0 % (7 of 25)
Backbone	27.6 % (27 of 98)	27.0 % (20 of 74)	29.2 % (7 of 24)
Sidechain	19.2 % (14 of 73)	19.4 % (14 of 72)	0.0 % (0 of 1)
Aromatic	0.0 % (0 of 8)	0.0 % (0 of 7)	0.0 % (0 of 1)
Methyl	25.0 % (7 of 28)	25.0 % (7 of 28)

1. M2-TM

SSDPLVVAAS IIGILHLILW ILDRL

Show sample condition

Sample #1

Solvent system 10mM pH 7.5 phosphate buffer, 50% hydration, Pressure 1 atm, Temperature 243 K, pH 7.5, Details M2-TM labeled at [U-13C,15N] labeled at S31, I32, D44 reconstituted in DMPC liposomes and 10 mM phosphate buffer with 1 mole d15-amantadine per mole of M2-TM added to final liposome pellet.

#	Name	Isotope labeling	Concentration
1	M2-TM	[U-99% 13C; U-99% 15N] at S31, I32 and D44	5.8 (±0.1) mg
2	DMPC	natural abundance	21.6 (±0.1) mg
3	NaH2PO4	natural abundance	10 mM
4	Na2HPO4	natural abundance	10 mM
5	EDTA	natural abundance	1 mM
6	NaN3	natural abundance	.1 mM
7	d15-1-aminoadamantane*HCl	[U-2H]	.42 (±0.05) mg

Sample #2

Solvent system 10mM pH 7.5 phosphate buffer, 50% hydration, Pressure 1 atm, Temperature 243 K, pH 7.5, Details M2-TM labeled at [U-13C,15N] labeled at S31, I32, D44 reconstituted in DMPC liposomes and 10 mM phosphate buffer with 0.25 mole d15-amantadine per mole of M2-TM added to final liposome pellet.

#	Name	Isotope labeling	Concentration
8	M2-TM	[U-99% 13C; U-99% 15N] at S31, I32 and D44	5.0 (±0.1) mg
9	DMPC	natural abundance	10.4 (±0.1) mg
10	NaH2PO4	natural abundance	10 mM
11	Na2HPO4	natural abundance	10 mM
12	EDTA	natural abundance	1 mM
13	NaN3	natural abundance	0.1 mM
14	d15-1-aminoadamantane*HCl	[U-2H]	0.09 (±0.05) mg

Sample #3

Solvent system 10mM pH 7.5 phosphate buffer, 50% hydration, Pressure 1 atm, Temperature 243 K, pH 7.5, Details M2-TM labeled at [U-13C,15N] labeled at L26, V27, A29, G34, reconstituted in DMPC liposomes and 10 mM phosphate buffer with 1 mole d15-amantadine per mole of M2-TM added to final liposome pellet.

#	Name	Isotope labeling	Concentration
15	M2-TM	[U-99% 13C; U-99% 15N] at L26, V27, A29 and G34	5.2 (±0.1) mg
16	DMPC	natural abundance	19.9 (±0.1) mg
17	NaH2PO4	natural abundance	10 mM
18	Na2HPO4	natural abundance	10 mM
19	EDTA	natural abundance	1 mM
20	NaN3	natural abundance	.1 mM
21	d15-1-aminoadamantane*HCl	[U-2H]	0.38 (±0.05) mg

Sample #4

Solvent system 10mM pH 7.5 phosphate buffer, 50% hydration, Pressure 1 atm, Temperature 243 K, pH 7.5, Details Unlabeled, reconstituted in DMPC liposomes and 10 mM phosphate buffer with 4 mole d15-amantadine per mole of M2-TM added to final liposome pellet.

#	Name	Isotope labeling	Concentration
22	M2-TM	[U-99% 13C; U-99% 15N] at L26, V27, A29 and G34	7 (±0.1) mg
23	DMPC	natural abundance	27 (±0.1) mg
24	NaH2PO4	natural abundance	10 mM
25	Na2HPO4	natural abundance	10 mM
26	EDTA	natural abundance	1 mM
27	NaN3	natural abundance	.1 mM
28	d15-1-aminoadamantane*HCl	[U-2H]	2.0 (±0.05) mg

Sample #5

Solvent system 10mM pH 7.5 phosphate buffer, 50% hydration, Pressure 1 atm, Temperature 243 K, pH 7.5, Details Unlabeled, reconstituted in DMPC liposomes and 10 mM phosphate buffer with 1 mole d15-amantadine per mole of M2-TM added to final liposome pellet.

#	Name	Isotope labeling	Concentration
29	M2-TM	[U-99% 13C; U-99% 15N] at L26, V27, A29 and G34	7 (±0.1) mg
30	DMPC	natural abundance	27 (±0.1) mg
31	NaH2PO4	natural abundance	10 mM
32	Na2HPO4	natural abundance	10 mM
33	EDTA	natural abundance	1 mM
34	NaN3	natural abundance	.1 mM
35	d15-1-aminoadamantane*HCl	[U-2H]	0.5 (±0.05) mg

Protein Blocks Logo

Calculated from 17 models in PDB: 2KQT, Strand ID: A, B, C, D Detail

Release date

2010-02-07

Citation

Structure of the amantadine binding site of influenza M2 proton channels in lipid bilayers
Cady, S.D., Schmidt-Rohr, K., Wang, J., Soto, C.S., Degrado, W.F., Hong, M.
Nature (2010), 463, 689-692, PubMed 20130653 , DOI 10.1038/nature08722 , Abstract

Related entities 1. M2-TM, : 1 : 48 : 43 : 21 : 16 entities Detail

Interaction partners 1. M2-TM, : 12 interactors Detail

More details for 12 interactors identified by 1 citations