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Ligand · XVJ

XVJ · Diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl) sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as, 6AR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl) amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVJ, Diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl) sulfonyl][(2s)-2-methylbutyl]amino}-2-[({[(3r,3as, 6AR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl) amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate (C34 H48 N3 O11 P S2, 769.9 g/mol)…

Component
XVJ
Formula
C34 H48 N3 O11 P S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

XVJ in 4 structures; the first of them:

  • 7LEE · HIV-1 Protease WT (NL4-3) in Complex with PU5 (LR4-47) · XVJ A101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 24 more
  • 7MAI · HIV-1 Protease (I84V) in Complex with PU5 (LR4-47) · XVJ A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
  • 7LEE · HIV-1 protease wt (NL4-3) in complex with PU5 (LR4-47) · XVJ A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, GLY48, GLY49 and 19 more
  • 7MAI · HIV-1 protease (I84V) in complex with PU5 (LR4-47) · XVJ A101 · binds LEU23, ASP25, GLY27, ALA28, ASP30, VAL32, ILE47, GLY48 and 16 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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