BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 19215

Title: Independently verified structure of gp41-M-MAT, a membrane associated MPER trimer from HIV-1 gp41   PubMed: 24474763

Deposition date: 2013-05-01 Original release date: 2013-05-13

Authors: Martin, Jeffrey; Reardon, Patrick; Sage, Harvey; Dennison, S.; Alam, S.; Haynes, Barton; Spicer, Leonard; Donald, Bruce

Citation: Reardon, Patrick; Sage, Harvey; Dennison, S. Moses; Martin, Jeffrey; Donald, Bruce; Alam, S. Munir; Haynes, Barton; Spicer, Leonard. "Structure of an HIV-1-neutralizing antibody target, the lipid-bound gp41 envelope membrane proximal region trimer."  Proc. Natl. Acad. Sci. U.S.A. 111, 1391-1396 (2014).

Assembly members:
gp41-M-MAT, polymer, 59 residues, 7010.886 Da.

Natural source:   Common Name: Human immunodeficiency virus type 1   Taxonomy ID: 11676   Superkingdom: Viruses   Kingdom: not available   Genus/species: Lentivirus Human immunodeficiency virus 1

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

Entity Sequences (FASTA):
gp41-M-MAT: GYIPEAPRDGQAYVRKDGEW VLLSTFLGSSGNEQELLELD KWASLWNWFNITNWLWYIK

Data sets:
Data typeCount
13C chemical shifts152
15N chemical shifts64
1H chemical shifts269

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1gp41-M-MAT, chain 11
2gp41-M-MAT, chain 21
3gp41-M-MAT, chain 31

Entities:

Entity 1, gp41-M-MAT, chain 1 59 residues - 7010.886 Da.

1   GLYTYRILEPROGLUALAPROARGASPGLY
2   GLNALATYRVALARGLYSASPGLYGLUTRP
3   VALLEULEUSERTHRPHELEUGLYSERSER
4   GLYASNGLUGLNGLULEULEUGLULEUASP
5   LYSTRPALASERLEUTRPASNTRPPHEASN
6   ILETHRASNTRPLEUTRPTYRILELYS

Samples:

sample_1: gp41-M-MAT, [U-99% 2H], 2 mM; sodium phosphate 50 mM; DPC 100 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

DISCO v1, Martin, Yan, Bailey-Kellogg, Zhou, and Donald - structure solution

X-PLOR NIH v2.33, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 950 MHz
  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 18237
PDB

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts