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Ligand · JK8

JK8 · (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine

JK8, (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine (C21 H17 Cl N2 O2, 364.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
JK8
Formula
C21 H17 Cl N2 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

JK8 in 2 structures; the first of them:

  • 6QX1 · 2.7A structure of benzoisoxazole 3 with S.AUREUS DNA gyrase and DNA. · JK8 B702 · binds ARG630, ILE633, GLU634, ALA637, MET27, ILE30, VAL31, MET179 and 2 more
  • 6QX2 · 3.4A structure of benzoisoxazole 3 with S.AUREUS DNA gyrase and DNA · JK8 A501 · binds ARG630, ILE633, ALA637, MET27, VAL31, MET179, GLY341, ARG342 and 3 more

Residues it binds most

ARG 14, MET 14, ILE 13, GLU 13, ALA 14, PRO 14, VAL 8, LEU 8, LYS 4, GLY 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • CL · Chloride ion
  • GOL · Glycerol

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