Brand  (β version)

PDB ID: 6OXQ

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Ligands
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F53 (3r,3as,6ar)-hexahydrofuro[2,3-B]furan-3-yl {(1s,2r)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate PoSSuM
SO4 Sulfate ion PoSSuM
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Structure summary

Code : 6OXQ   PDBj   RCSB PDB   PDBe
Header : Hydrolase/Hydrolase inhibitor
Title : HIV-1 Protease NL4-3 WT in Complex with UMass8
Release Data : 2019-08-21
Compound :
mol_id molecule chains
1 Protease NL4-3 B,A
mutation: Q7K
Source :
mol_id organism_scientific expression_system
1 Human immunodeficiency virus 1  (taxid:11676) Escherichia coli  (taxid:562)
gene: pol
expression_system_vector_type: Plasmid
expression_system_plasmid: pXC35
Authors : Lockbaum, G.J., Rusere, L.N., Lee, S.K., Henes, M., Kosovrasti, K., Spielvogel, E., Nalivaika, E.A., Swanstrom, R., KurtYilmaz, N., Schiffer, C.A., Ali, A.
Keywords : HIV, NL4-3 PROTEASE, DRUG RESISTANCE, PROTEASE INHIBITOR, HYDROLASE INHIBITOR COMPLEX, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.890 Å )
Citation :

HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.

Rusere, L.N.,Lockbaum, G.J.,Lee, S.K.  et al.
(2019)  J.Med.Chem.  62 : 8062 - 8079

PubMed: 31386368
DOI: 10.1021/acs.jmedchem.9b00838

Reaction

Chain : B, A
UniProt : Q8ULI9 (Q8ULI9_HV1)
Reaction : -