Brand  (β version)

PDB ID: 6MCS

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Ligands
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JDV (3s,3ar,5r,7as,8s)-hexahydro-4h-3,5-methanofuro[2,3-B]pyran-8-yl [(2s,3r)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate PoSSuM
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Structure summary

Code : 6MCS   PDBj   RCSB PDB   PDBe
Header : VIRAL PROTEIN
Title : X-ray crystal structure of wild type HIV-1 protease in complex with GRL-003
Release Data : 2019-04-24
Compound :
mol_id molecule chains
1 Protease A
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:562)
gene: pol
Authors : Bulut, H., Hayashi, H., Hattori, S.I., Aoki, M., Das, D., Ghosh, A.K., Mitsuya, H.
Keywords : HIV-1, Inhibitor, VIRAL PROTEIN
Exp. method : X-RAY DIFFRACTION ( 1.520 Å )
Citation :

Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants.

Hattori, S.I.,Hayashi, H.,Bulut, H.  et al.
(2019)  Antimicrob.Agents Chemother.  63

PubMed: 30962341
DOI: 10.1128/AAC.02635-18

Reaction

Chain : A
UniProt : Q8ULI2 (Q8ULI2_9HIV1)
Reaction : -