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Ligand · USU

USU · (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

USU, (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide (C27 H27 F N4 O3, 474.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2…

Component
USU
Formula
C27 H27 F N4 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

USU in 2 structures; the first of them:

  • 8E71 · Staphylococcus aureus ClpP in complex with compound 3471 · USU A302 · binds ARG23, LEU24, ASP27, ILE29, TYR61, TYR63, ILE91, ILE93 and 8 more
  • 8EF8 · Staphylococcus aureus ClpP Y63W in complex with compound 3471 · USU A302 · binds ARG23, LEU24, ASP27, ILE29, TYR61, TRP63, ILE91, ILE93 and 8 more

Residues it binds most

ILE 26, LEU 26, TYR 26, MET 26, ALA 26, ARG 26, ASP 26, HIS 26, PHE 26, THR 26 (residue and the binding sites it lines).

Found with

  • MPD · (4S)-2-methyl-2,4-pentanediol

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