BMRB: 30856

Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail

Authors

Piai, A., Fu, Q., Sharp, A.K., Bighi, B., Brown, A.M., Chou, J.J.

Assembly

Transmembrane protein gp41

Entity

1. Transmembrane protein gp41 (polymer, Thiol state: not present), 197 monomers, 22950.34 × 3 Da Detail

LLELDKWASL WNWFDITNWL WYIRIFIIIV GSLIGLRIVF AVLSLVNRVR QGYSPLSFQT HLPTPRGPDR PEGIEEEGGE RDRDRSIRLV NGSLALIWDD LRSLSLFSYH RLRDLLLIVT RIVELLGRRG WEALKYWWNL LQYWSQELKN SAVSLLNATA IAVGEGTDRV IEVVQGASRA IRHIPRRIRQ GLERILL

Total weight

68851.016 Da

Max. entity weight

22950.34 Da

Source organism

Human immunodeficiency virus 1

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 30.3 %, Completeness (bb): 59.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	30.3 % (740 of 2439)	16.9 % (212 of 1254)	38.0 % (360 of 948)	70.9 % (168 of 237)
Backbone	59.0 % (690 of 1170)	43.8 % (176 of 402)	60.3 % (348 of 577)	86.9 % (166 of 191)
Sidechain	4.5 % (65 of 1452)	4.2 % (36 of 852)	4.9 % (27 of 554)	4.3 % (2 of 46)
Aromatic	0.9 % (2 of 222)	0.9 % (1 of 111)	0.0 % (0 of 101)	10.0 % (1 of 10)
Methyl	7.3 % (21 of 288)	6.9 % (10 of 144)	7.6 % (11 of 144)

1. entity 1

LLELDKWASL WNWFDITNWL WYIRIFIIIV GSLIGLRIVF AVLSLVNRVR QGYSPLSFQT HLPTPRGPDR PEGIEEEGGE RDRDRSIRLV NGSLALIWDD LRSLSLFSYH RLRDLLLIVT RIVELLGRRG WEALKYWWNL LQYWSQELKN SAVSLLNATA IAVGEGTDRV IEVVQGASRA IRHIPRRIRQ GLERILL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.7, Details 1.2 mM [U-100% 13C; U-100% 15N; U-85% 2H] HIV-1 gp41 MPER-TMD-CT, 40 mM DMPC, 80 mM DHPC, 40 mM MES, 1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	HIV-1 gp41 MPER-TMD-CT	[U-100% 13C; U-100% 15N; U-85% 2H]		1.2 mM
2	DMPC	natural abundance		40 mM
3	DHPC	natural abundance		80 mM
4	MES	natural abundance		40 mM
5	sodium azide	natural abundance		1 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 6.7, Details 1 mM [ILV-100% 13C; U-100% 15N; U-85% 2H] HIV-1 gp41 MPER-TMD-CT, 40 mM DMPC, 80 mM DHPC, 40 mM MES, 1 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
6	HIV-1 gp41 MPER-TMD-CT	[ILV-100% 13C; U-100% 15N; U-85% 2H]		1 mM
7	DMPC	natural abundance		40 mM
8	DHPC	natural abundance		80 mM
9	MES	natural abundance		40 mM
10	sodium azide	natural abundance		1 %

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Release date

2021-03-07

Citation

NMR Model of the Entire Membrane-Interacting Region of the HIV-1 Fusion Protein and Its Perturbation of Membrane Morphology
Piai, A., Fu, Q., Sharp, A.K., Bighi, B., Brown, A.M., Chou, J.J.
J. Am. Chem. Soc. (2021), 143, 6609-6615, PubMed 33882664 , DOI 10.1021/jacs.1c01762 , Abstract

Related entities 1. Transmembrane protein gp41, : 1 : 1 : 79 entities Detail

Interaction partners 1. Transmembrane protein gp41, : 1 interactors Detail

Experiments performed 8 experiments Detail

Chemical shift validation 3 contents Detail