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Ligand · 55A

55A · N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide

55A, N~2~-acetyl-N-[(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-L-leucinamide (C30 H42 N4 O5 S2, 602.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
55A
Formula
C30 H42 N4 O5 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

55A in 2 structures; the first of them:

  • 3SA7 · Crystal structure of wild-type HIV-1 protease in complex with AF55 · 55A A102 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
  • 3SA7 · Crystal structure of wild-type HIV-1 protease in complex with AF55 · 55A A102 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more

Residues it binds most

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

Found with

  • PO4 · Phosphate ion

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