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Ligand · JHB

JHB · 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy) phenyl]methyl]phenyl]-1~{H}-quinolin-4-one

JHB, 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy) phenyl]methyl]phenyl]-1~{H}-quinolin-4-one (C24 H17 Cl F3 N O2, 443.9 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
JHB
Formula
C24 H17 Cl F3 N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

JHB in 3 structures; the first of them:

  • 6ZFT · Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor CK-2-68 · JHB C404 · binds ALA17, PHE18, LEU21, ALA23, PRO24, ILE27, SER35, GLY38 and 9 more
  • 7TZ6 · Structure of mitochondrial bc1 in complex with ck-2-68 · JHB C1003 · binds LEU121, MET124, ALA125, MET138, TRP141, GLY142, VAL145, ILE146 and 10 more
  • 6ZFT · Crystal structure of bovine cytochrome BC1 in complex with quinolone inhibitor ck-2-68 · JHB C404 · binds ALA17, PHE18, LEU21, ILE27, SER35, GLY38, ILE39, ILE42 and 7 more

Residues it binds most

ILE 4, LEU 4, MET 4, ALA 4, PHE 4, GLY 4, HIS 4, SER 2, PRO 3, ASP 2 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • HEC · Heme C
  • HEM · Protoporphyrin IX containing Fe
  • 6PE · 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine
  • CDL · Cardiolipin
  • PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
  • PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine
  • PO4 · Phosphate ion
  • LMT · Dodecyl-beta-D-maltoside
  • PG4 · Tetraethylene glycol

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