Ligand · YWS
YWS · Diethyl ({4-[(2S,3R)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino) butyl]phenoxy}methyl)phosphonate
YWS, Diethyl ({4-[(2S,3R)-2-[({[(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2s)-2-methylbutyl]amino) butyl]phenoxy}methyl)phosphonate (C35 H53 N2 O12 P S, 756.9…
- Component
- YWS
- Formula
- C35 H53 N2 O12 P S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
YWS in 4 structures; the first of them:
- 7M9M · HIV-1 Protease WT (NL4-3) in Complex with LR3-55 · YWS B101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 22 more
- 7M9P · HIV-1 Protease (I84V) in Complex with LR3-55 · YWS A106 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
- 7M9M · HIV-1 protease wt (NL4-3) in complex with LR3-55 · YWS B101 · binds ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47, GLY48 and 16 more
- 7M9P · HIV-1 protease (I84V) in complex with LR3-55 · YWS A106 · binds ARG8, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 18 more
Residues it binds most
GLY 4, ASP 4, VAL 4, ILE 4, ALA 4, LEU 3, PRO 4, PHE 4, ARG 2 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
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