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Ligand · PT6

PT6 · 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one

PT6, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one (C19 H20 N2 O2 S, 340.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
PT6
Formula
C19 H20 N2 O2 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

PT6 in 6 structures; the first of them:

  • 4CV0 · Crystal structure of S. aureus FabI in complex with NADPH and CG400549 (small unit cell) · PT6 A1258 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 9 more
  • 4CV1 · Crystal structure of S. aureus FabI in complex with NADPH and CG400549 · PT6 A1261 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 11 more
  • 4CV2 · Crystal structure of E. coli FabI in complex with NADH and CG400549 · PT6 A1259 · binds GLY93, PHE94, ALA95, LEU100, TYR146, ILE153, PRO154, TYR156 and 3 more
  • 4CV0 · Crystal structure of S. aureus fabi in complex with NADPH and CG400549 (small unit cell) · PT6 A1258 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 9 more
  • 4CV1 · Crystal structure of S. aureus fabi in complex with NADPH and CG400549 · PT6 A1261 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 11 more
  • 4CV2 · Crystal structure of E. COLI fabi in complex with NADH and CG400549 · PT6 A1259 · binds GLY93, PHE94, ALA95, LEU100, TYR146, ILE153, PRO154, TYR156 and 3 more

Residues it binds most

ALA 28, TYR 28, PHE 28, VAL 24, MET 28, PRO 28, GLY 18, ILE 28, LEU 28, LYS 28 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • CL · Chloride ion

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