BMRB Entry 19750

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19750
MolProbity Validation Chart

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Title:
Solution NMR structure of gp41 ectodomain monomer on a DPC micelle
Deposition date:
2014-01-23
Original release date:
2014-02-17
Authors:
Roche, Julien; Louis, John; Grishaev, Alexander; Ying, Jinfa; Bax, Adriaan
Citation:

Citation: Roche, Julien; Louis, John; Grishaev, Alexander; Ying, Jinfa; Bax, Adriaan. "Dissociation of the trimeric gp41 ectodomain at the lipid-water interface suggests an active role in HIV-1 Env-mediated membrane fusion."  Proc. Natl. Acad. Sci. U.S.A. 111, 3425-3430 (2014).
PubMed: 24550514

Assembly members:

Assembly members:
entity, polymer, 72 residues, 7879.830 Da.

Natural source:

Natural source:   Common Name: HIV-1   Taxonomy ID: 11676   Superkingdom: Viruses   Kingdom: not available   Genus/species: Lentivirus not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GSHMSGIVQQQNNLLRAIEA QQHLLQLTVWGIKQLQARSG GRGGWMEWDREINNYTSLIH SLIEESQNQQEK

Data sets:
Data typeCount
13C chemical shifts195
15N chemical shifts68
1H chemical shifts125

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1gp41 ectodomain monomer1

Entities:

Entity 1, gp41 ectodomain monomer 72 residues - 7879.830 Da.

1   GLYSERHISMETSERGLYILEVALGLNGLN
2   GLNASNASNLEULEUARGALAILEGLUALA
3   GLNGLNHISLEULEUGLNLEUTHRVALTRP
4   GLYILELYSGLNLEUGLNALAARGSERGLY
5   GLYARGGLYGLYTRPMETGLUTRPASPARG
6   GLUILEASNASNTYRTHRSERLEUILEHIS
7   SERLEUILEGLUGLUSERGLNASNGLNGLN
8   GLULYS

Samples:

Isotropic_sample: DPC, [U-99% 2H], 100 mM; sodium phosphate 50 mM; H2O 93%; D2O 7%; gp41 ectodomain monomer, [U-2H; U-15N; U-13C],

Aligned_sample: DPC, [U-99% 2H], 100 mM; potassium phosphate 50 mM; H2O 93%; D2O 7%; gp41 ectodomain monomer, [U-2H; U-15N; U-13C], ; acrylamide gel 5.5%; cationic DADMAC-acrylamide copolymer 30%

sample_conditions_1: ionic strength: 0.05 M; pH: 4.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBIsotropic_sampleisotropicsample_conditions_1
3D HNCOIsotropic_sampleisotropicsample_conditions_1
3D 1H-15N NOESYIsotropic_sampleisotropicsample_conditions_1
3D HCCH-TOCSYIsotropic_sampleisotropicsample_conditions_1
2D 1H-1H NOESYIsotropic_sampleisotropicsample_conditions_1
2D 1H-15N ArtsyAligned_sampleanisotropicsample_conditions_1
2D 1H-15N Trosy-HSQCAligned_sampleanisotropicsample_conditions_1
3D HNCOAligned_sampleanisotropicsample_conditions_1

Software:

X-PLOR_NIH v2.34, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks