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Ligand · 065

065 · (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(N-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate

065, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl(2s,3r)-3-hydroxy-4-(N-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate (C28 H36 N2 O9 S, 576.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
065
Formula
C28 H36 N2 O9 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

065 in 4 structures; the first of them:

  • 7LDZ · HIV-1 Protease WT (NL4-3) in Complex with GRL-98065 · 065 A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
  • 7MA1 · HIV-1 Protease (I84V) in Complex with GRL-98065 · 065 A107 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 19 more
  • 7LDZ · HIV-1 protease wt (NL4-3) in complex with grl-98065 · 065 A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 16 more
  • 7MA1 · HIV-1 protease (I84V) in complex with grl-98065 · 065 A107 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 16 more

Residues it binds most

ASP 4, GLY 4, ILE 4, VAL 4, ALA 4, LEU 4, PRO 4, ARG 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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