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Ligand · 079

079 · (S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide

079, (S)-N-((2S,3S,4R,5R)-4-amino-3,5-dihydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide (C31 H39 N3 O5, 533.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
079
Formula
C31 H39 N3 O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

079 in 4 structures; the first of them:

  • 3TOG · HIV-1 Protease - Epoxydic Inhibitor Complex (pH 9 - Monoclinic Crystal form P21) · 079 A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more
  • 3TOH · HIV-1 Protease - Epoxydic Inhibitor Complex (pH 9 - Orthorombic Crystal form P212121) · 079 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, VAL32, ILE47, GLY48 and 16 more
  • 3TOG · HIV-1 protease - epoxydic inhibitor complex (pH 9 - monoclinic crystal form P21) · 079 A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 19 more
  • 3TOH · HIV-1 protease - epoxydic inhibitor complex (pH 9 - orthorombic crystal form P212121) · 079 A100 · binds LEU23, ASP25, GLY27, ALA28, ASP29, VAL32, ILE47, GLY48 and 16 more

Residues it binds most

GLY 6, ILE 6, ASP 6, VAL 6, ALA 6, LEU 6, PRO 6, ARG 6, THR 4, PHE 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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