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Ligand · XW4

XW4 · Diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl) sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XW4, Diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl) sulfonyl](2-ethylbutyl)amino}-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate (C35 H51 N2 O13 P S, 770.8 g/mol), in the…

Component
XW4
Formula
C35 H51 N2 O13 P S
Class
ligand
Structures
4
PDB entries
2

Binding sites

XW4 in 4 structures; the first of them:

  • 7LEH · HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80) · XW4 A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 7MAN · HIV-1 Protease (I84V) in Complex with PU9 (LR2-80) · XW4 A103 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 7LEH · HIV-1 protease wt (NL4-3) in complex with PU9 (LR2-80) · XW4 A101 · binds ARG8, ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48 and 21 more
  • 7MAN · HIV-1 protease (I84V) in complex with PU9 (LR2-80) · XW4 A103 · binds ARG8, ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48 and 16 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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