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Ligand · XUS

XUS · diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XUS, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate (C33 H50 N3 O11 P S, 727.8 g/mol), in the…

Component
XUS
Formula
C33 H50 N3 O11 P S
Class
ligand
Structures
4
PDB entries
2

Binding sites

XUS in 4 structures; the first of them:

  • 7LEA · HIV-1 Protease WT (NL4-3) in Complex with PU1 (LR3-46) · XUS A104 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 7MAE · HIV-1 Protease (I84V) in Complex with PU1 (LR3-46) · XUS A101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 24 more
  • 7LEA · HIV-1 protease wt (NL4-3) in complex with PU1 (LR3-46) · XUS A104 · binds ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48, GLY49 and 14 more
  • 7MAE · HIV-1 protease (I84V) in complex with PU1 (LR3-46) · XUS A101 · binds ASP25, GLY27, ALA28, ASP30, VAL32, GLY48, GLY49, ILE50 and 16 more

Residues it binds most

GLY 4, ASP 4, ILE 4, VAL 4, ALA 4, PRO 4, LEU 3, PHE 4, ARG 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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