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Ligand · YUA

YUA · (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

YUA, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate (C32 H44 N2 O8 S, 616.8 g/mol), in the MolNFT structures on…

Component
YUA
Formula
C32 H44 N2 O8 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

YUA in 4 structures; the first of them:

  • 7M9U · HIV-1 Protease WT (NL4-3) in Complex with NR02-79 · YUA A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 7M9X · HIV-1 Protease (I84V) in Complex with NR02-79 · YUA A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 7M9U · HIV-1 protease wt (NL4-3) in complex with NR02-79 · YUA A101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 16 more
  • 7M9X · HIV-1 protease (I84V) in complex with NR02-79 · YUA A101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 17 more

Residues it binds most

ASP 4, GLY 4, VAL 4, ILE 4, ALA 4, LEU 2, PRO 4, ARG 4, THR 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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