GL1X · GenesisL1 explorer

Ligand · A61

A61 · (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate

A61, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-1-benzyl-2-hydroxypropyl}carbamate (C30 H39 N3 O7 S2, 617.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records…

Component
A61
Formula
C30 H39 N3 O7 S2
Class
ligand
Structures
3
PDB entries
2

Binding sites

A61 in 3 structures; the first of them:

  • 7LE6 · HIV-1 Protease WT (NL4-3) in Complex with UMass10 · A61 A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 7MAA · HIV-1 Protease (I84V) in Complex with UMass10 · A61 A103 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 21 more
  • 7LE6 · HIV-1 protease wt (NL4-3) in complex with UMASS10 · A61 A101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 18 more

Residues it binds most

ASP 3, GLY 3, ILE 3, VAL 3, ALA 3, PRO 3, ARG 3, LEU 2, THR 3 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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