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Ligand · YWP

YWP · Diethyl [(4-{(2S,3R)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy) methyl]phosphonate

YWP, Diethyl [(4-{(2S,3R)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy) methyl]phosphonate (C34 H51 N2 O12 P S, 742.8…

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

Binding sites

YWP in 4 structures; the first of them:

  • 7M9K · HIV-1 Protease WT (NL4-3) in Complex with LR3-48 · YWP A105 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, THR31, VAL32 and 22 more
  • 7M9O · HIV-1 Protease (I84V) in Complex with LR3-48 · YWP A104 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 7M9K · HIV-1 protease wt (NL4-3) in complex with LR3-48 · YWP A105 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 18 more
  • 7M9O · HIV-1 protease (I84V) in complex with LR3-48 · YWP A104 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 18 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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