BMRB Entry 27378
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27378
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments of WT HIV-1 Protease bound to Darunavir PubMed: 29457713
Deposition date: 2018-01-22 Original release date: 2018-03-07
Authors: Ishima, Rieko; Persons, John; Khan, Shahid
Citation: Khan, Shahid; Persons, John; Paulsen, Janet; Guerrero, Michel; Schiffer, Celia; Kurt-Yilmaz, Nese; Ishima, Rieko. "Probing Structural Changes among Analogous Inhibitor-Bound Forms of HIV-1 Protease and a Drug-Resistant Mutant in Solution by Nuclear Magnetic Resonance" Biochemistry 57, 1652-1662 (2018).
Assembly members:
HIV-1_Protease, polymer, 99 residues, 10739.70 Da.
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, non-polymer, 561.690 Da.
Natural source: Common Name: HIV-1 Taxonomy ID: 11676 Superkingdom: Viruses Kingdom: not available Genus/species: Lentivirus HIV-1
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJ414
Entity Sequences (FASTA):
HIV-1_Protease: PQITLWKRPLVTIRIGGQLK
EALLDTGADDTVIEEMNLPG
KWKPKMIGGIGGFIKVRQYD
QIPIEIAGHKAIGTVLVGPT
PVNIIGRNLLTQIGATLNF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 167 |
| 15N chemical shifts | 164 |
| 1H chemical shifts | 164 |