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Ligand · JUS

JUS · 2-(2-cyanophenoxy)-5-hexylphenol

JUS, 2-(2-cyanophenoxy)-5-hexylphenol (C19 H21 N O2, 295.4 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…

Component
JUS
Formula
C19 H21 N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

JUS in 4 structures; the first of them:

  • 4BNN · Crystal structure of S. aureus FabI in complex with NADP and 2-(2… · JUS A1257 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 10 more
  • 4OIM · Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in… · JUS A302 · binds ILE95, GLY96, PHE97, MET98, MET103, PHE149, MET155, PRO156 and 11 more
  • 4BNN · Crystal structure of S. aureus fabi in complex with NADP and… · JUS A1257 · binds ALA95, PHE96, ALA97, LEU102, TYR147, VAL154, GLN155, ASN156 and 10 more
  • 4OIM · Crystal structure of mycobacterium tuberculosis inha in complex with inhibitor PT119 in… · JUS A302 · binds ILE95, GLY96, PHE97, MET98, MET103, PHE149, MET155, PRO156 and 11 more

Residues it binds most

ALA 18, PHE 18, TYR 18, VAL 16, ILE 18, MET 18, GLY 18, LEU 18, LYS 18, PRO 16 (residue and the binding sites it lines).

Found with

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

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