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BMRB: 51528

8B6X

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

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

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.0 %, Completeness: 79.8 %, Completeness (bb): 65.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	79.8 % (269 of 337)	92.7 % (179 of 193)	62.5 % (90 of 144)
Backbone	65.6 % (82 of 125)	86.3 % (44 of 51)	51.4 % (38 of 74)
Sidechain	86.4 % (204 of 236)	95.1 % (135 of 142)	73.4 % (69 of 94)
Aromatic	78.7 % (48 of 61)	90.6 % (29 of 32)	65.5 % (19 of 29)
Methyl	100.0 % (30 of 30)	100.0 % (15 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		90 %
3	D2O	[U-100% 2H]		10 %
4	DPC	[U-99% 2H]		20 mM
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]		100 %
9	DPC	[U-99% 2H]		20 mM
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

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

BMRB: 51531 released on 2022-07-24
Title 1H and 13C chemical shifts of a peptide derived from the membrane proximal external region of HIV-1 gp41 in 25% HFIP

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

Experiments performed 10 experiments Detail

1 2D 1H-1H COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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		90 %
3	D2O	[U-100% 2H]		10 %
4	DPC	[U-99% 2H]		20 mM
5	HEPES	natural abundance		2 mM
6	DSS	natural abundance		0.1 mM

2 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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		90 %
3	D2O	[U-100% 2H]		10 %
4	DPC	[U-99% 2H]		20 mM
5	HEPES	natural abundance		2 mM
6	DSS	natural abundance		0.1 mM

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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		90 %
3	D2O	[U-100% 2H]		10 %
4	DPC	[U-99% 2H]		20 mM
5	HEPES	natural abundance		2 mM
6	DSS	natural abundance		0.1 mM

4 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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		90 %
3	D2O	[U-100% 2H]		10 %
4	DPC	[U-99% 2H]		20 mM
5	HEPES	natural abundance		2 mM
6	DSS	natural abundance		0.1 mM

5 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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		90 %
3	D2O	[U-100% 2H]		10 %
4	DPC	[U-99% 2H]		20 mM
5	HEPES	natural abundance		2 mM
6	DSS	natural abundance		0.1 mM

6 2D 1H-1H COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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]		100 %
9	DPC	[U-99% 2H]		20 mM
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

7 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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]		100 %
9	DPC	[U-99% 2H]		20 mM
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

8 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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]		100 %
9	DPC	[U-99% 2H]		20 mM
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

9 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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]		100 %
9	DPC	[U-99% 2H]		20 mM
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

10 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, 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]		100 %
9	DPC	[U-99% 2H]		20 mM
10	HEPES	natural abundance		2 mM
11	DSS	natural abundance		0.1 mM

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