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Ligand · XVY

XVY · Diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as, 6AR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl) amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVY, Diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3r,3as, 6AR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl) amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate (C35 H53 N2 O12 P S, 756.9 g/mol), in…

Component
XVY
Formula
C35 H53 N2 O12 P S
Class
ligand
Structures
4
PDB entries
2

Binding sites

XVY in 4 structures; the first of them:

  • 7LEG · HIV-1 Protease WT (NL4-3) in Complex with PU8 (LR4-06) · XVY A105 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48, GLY49 and 16 more
  • 7MAL · HIV-1 Protease (I84V) in Complex with PU8 (LR4-06) · XVY A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 7LEG · HIV-1 protease wt (NL4-3) in complex with PU8 (LR4-06) · XVY A105 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, GLY48, GLY49 and 16 more
  • 7MAL · HIV-1 protease (I84V) in complex with PU8 (LR4-06) · XVY A101 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 20 more

Residues it binds most

GLY 4, ASP 4, VAL 4, ILE 4, ALA 4, LEU 4, PRO 4, PHE 4, ARG 2, THR 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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