BMRB: 51531

1H and 13C chemical shifts of a peptide derived from the membrane proximal external region of HIV-1 gp41 in 25% HFIP

Authors

Jimenez, M., Partida-Hanon, A., Nieva, J.L.

Assembly

C-MPER-TMD690

Entity

1. C-MPER-TMD690 (polymer, Thiol state: not present), 25 monomers, 3213.918 Da Detail

NWFDITNWLW YIKLFIMIVG KKKKK

Formula weight

3213.918 Da

Source organism

Human immunodeficiency virus 1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 86.1 %, Completeness (bb): 71.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	86.1 % (290 of 337)	94.8 % (183 of 193)	74.3 % (107 of 144)
Backbone	71.2 % (89 of 125)	90.2 % (46 of 51)	58.1 % (43 of 74)
Sidechain	94.5 % (223 of 236)	96.5 % (137 of 142)	91.5 % (86 of 94)
Aromatic	90.2 % (55 of 61)	100.0 % (32 of 32)	79.3 % (23 of 29)
Methyl	93.3 % (28 of 30)	86.7 % (13 of 15)	100.0 % (15 of 15)

1. entity 1

NWFDITNWLW YIKLFIMIVG KKKKK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	C-MPER-TMD690	natural abundance		0.9 mM
2	H2O	natural abundance		67,5 %
3	D2O	[U-100% 2H]		7,5 %
4	HFIP	[U-98% 2H]		25 %
5	HEPES	natural abundance		2 mM
6	DSS	natural abundance		0.1 mM

Sample #2

Solvent system D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	C-MPER-TMD690	natural abundance		0.9 mM
8	D2O	[U-100% 2H]		75 %
9	HFIP	[U-98% 2H]		25 %
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

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Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 80.6 %, Completeness (bb): 66.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	80.6 % (543 of 674)	89.4 % (345 of 386)	68.8 % (198 of 288)
Backbone	66.4 % (166 of 250)	71.6 % (73 of 102)	62.8 % (93 of 148)
Sidechain	89.6 % (423 of 472)	95.8 % (272 of 284)	80.3 % (151 of 188)
Aromatic	68.9 % (84 of 122)	95.3 % (61 of 64)	39.7 % (23 of 58)
Methyl	96.7 % (58 of 60)	93.3 % (28 of 30)	100.0 % (30 of 30)

1. entity 1

NWFDITNWLW YIKLFIMIVG KKKKK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	C-MPER-TMD690	natural abundance		0.9 mM
2	H2O	natural abundance		67,5 %
3	D2O	[U-100% 2H]		7,5 %
4	HFIP	[U-98% 2H]		25 %
5	HEPES	natural abundance		2 mM
6	DSS	natural abundance		0.1 mM

Sample #2

Solvent system D2O, Pressure 1 atm, Temperature 308 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	C-MPER-TMD690	natural abundance		0.9 mM
8	D2O	[U-100% 2H]		75 %
9	HFIP	[U-98% 2H]		25 %
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

Hide sample codition

Release date

2022-07-24

Citation

Molecular recognition of a membrane-anchored HIV-1 pan-neutralizing epitope
Torralba, J., de la Arada, I., Partida-Hanon, A., Rujas, E., Arribas, M., Insausti, S., Valotteau, C., Valle, J., Andreu, D., Caaveiro, J., Jimenez, M.A., Apellaniz, B., Redondo-Morata, L., Nieva, J.L.
Commun. Biol. (2022), 5, 1265-1265, PubMed 36400835 , DOI 10.1038/s42003-022-04219-6 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. C-MPER-TMD690, : 1 : 3 : 1 : 2 : 67 entities Detail

Experiments performed 9 experiments Detail