Saquinavir

This is an antiviral drug used to treat HIV by inhibiting proteases in the virus. This inhibition causes the spread of the virus to decrease significantly. The protease is an enzyme that the virus uses to produce the proteins necessary to assemble more viruses. The common name for saqinavir is fortovase. It functions as peptide-like analogue that binds to active site 1 of the protein and causes inhibition by preventing the protease from cleaving polyproteins which in turn causes the virus to create non-infectious virus particles.

3oxc, resolution 1.16Å (default scene)

Ligands:

FMT, ROC, SO4

Gene:

pol (Human immunodeficiency virus 1)

Activity:

HIV-1 retropepsin, with EC number 3.4.23.16

Related:

2ien, 3mws, 3nu3, 3cyx, 3d1x, 3d1y, 2nmy, 2nmz, 2nnk, 2nnp

Structural annotation:
Resources:	InterPro : Ipr021109, Ipr018061, Ipr001995, Ipr001969, Ipr009007 Pfam : PF00077

Resources:

FirstGlance, OCA, PDBsum, RCSB

Coordinates:

save as pdb, mmCIF, xml

Structure

The chemical formula of Saquinavir is (C39)(H54)(N6)(O8)S and the molecular weight is 766.94 g/mol.There are 5 aromatic rings, two of which are heterocyclic. One hydroxyl group near the center of the compound that plays an important role in active site binding. The amino groups cause the protease to recognize the drug as a natural substrate with amino acid groups which are recognized by the active sites.