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Ligand · XVP

XVP · diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate

XVP, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate (C34 H51 N2 O12 P S, 742.8 g/mol)…

Component
XVP
Formula
C34 H51 N2 O12 P S
Class
ligand
Structures
4
PDB entries
2

Binding sites

XVP in 4 structures; the first of them:

  • 7LEC · HIV-1 Protease WT (NL4-3) in Complex with PU3 (LR3-69) · XVP B101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 7MAG · HIV-1 Protease (I84V) in Complex with PU3 (LR3-69) · XVP A104 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 23 more
  • 7LEC · HIV-1 protease wt (NL4-3) in complex with PU3 (LR3-69) · XVP B101 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 17 more
  • 7MAG · HIV-1 protease (I84V) in complex with PU3 (LR3-69) · XVP A104 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 16 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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