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Ligand · XVS

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

XVS, diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)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 the MolNFT…

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

Binding sites

XVS in 4 structures; the first of them:

  • 7LEF · HIV-1 Protease WT (NL4-3) in Complex with PU7 (LR3-67) · XVS A106 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 7MAK · HIV-1 Protease (I84V) in Complex with PU7 (LR3-67) · XVS A106 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 7LEF · HIV-1 protease wt (NL4-3) in complex with PU7 (LR3-67) · XVS A106 · binds ARG8, ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48 and 16 more
  • 7MAK · HIV-1 protease (I84V) in complex with PU7 (LR3-67) · XVS A106 · binds ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48, GLY49 and 16 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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