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Ligand · 5PP

5PP · 5-pentyl-2-phenoxyphenol

5PP, 5-pentyl-2-phenoxyphenol (C17 H20 O2, 256.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
5PP
Formula
C17 H20 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

5PP in 4 structures; the first of them:

  • 2B36 · Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by… · 5PP A290 · binds GLY96, PHE97, MET98, MET103, PHE149, ALA157, TYR158, MET161 and 5 more
  • 4BNG · Crystal structure of S. aureus FabI in complex with NADP and 5-pentyl- 2-phenoxyphenol · 5PP A1257 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, TYR157 and 10 more
  • 2B36 · Crystal structure of mycobacterium tuberculosis enoyl reductase (inha) inhibited by… · 5PP A290 · binds GLY96, PHE97, MET98, MET103, PHE149, ALA157, TYR158, MET161 and 5 more
  • 4BNG · Crystal structure of S. aureus fabi in complex with NADP and 5-pentyl- 2-phenoxyphenol · 5PP A1257 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, TYR157 and 10 more

Residues it binds most

ALA 22, MET 28, PHE 28, TYR 28, GLY 28, VAL 16, ILE 24, PRO 24, LEU 20, LYS 20 (residue and the binding sites it lines).

Found with

  • GLU · Glutamic acid
  • NAD · Nicotinamide-adenine-dinucleotide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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