BMRB Entry 19215
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19215
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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
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 152 |
| 15N chemical shifts | 64 |
| 1H chemical shifts | 269 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | gp41-M-MAT, chain 1 | 1 |
| 2 | gp41-M-MAT, chain 2 | 1 |
| 3 | gp41-M-MAT, chain 3 | 1 |
Entities:
Entity 1, gp41-M-MAT, chain 1 59 residues - 7010.886 Da.
| 1 | GLY | TYR | ILE | PRO | GLU | ALA | PRO | ARG | ASP | GLY | ||||
| 2 | GLN | ALA | TYR | VAL | ARG | LYS | ASP | GLY | GLU | TRP | ||||
| 3 | VAL | LEU | LEU | SER | THR | PHE | LEU | GLY | SER | SER | ||||
| 4 | GLY | ASN | GLU | GLN | GLU | LEU | LEU | GLU | LEU | ASP | ||||
| 5 | LYS | TRP | ALA | SER | LEU | TRP | ASN | TRP | PHE | ASN | ||||
| 6 | ILE | THR | ASN | TRP | LEU | TRP | TYR | ILE | LYS |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_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
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts