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Ligand · CJ8

CJ8 · (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide

CJ8, (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide (C10 H20 N2 O4, 232.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
CJ8
Formula
C10 H20 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

CJ8 in 2 structures; the first of them:

  • 6F32 · Crystal structure of a dual function amine oxidase/cyclase in complex with substrate… · CJ8 A603 · binds LEU70, TYR168, TYR182, LEU185, SER186, LEU191, TRP200, LEU364 and 2 more
  • 6F32 · Crystal structure of a dual function amine OXIDASE/CYCLASE in complex with substrate… · CJ8 A603 · binds TYR168, LEU185, SER186, LEU191, TRP200, LEU364, THR397, GLY398

Residues it binds most

LEU 2, TYR 2, GLY 2, SER 2, THR 2, TRP 2 (residue and the binding sites it lines).

Found with

  • CJE · ethyl (2~{R})-2-methyl-3-oxidanylidene-butanoate
  • FAD · Flavin-adenine dinucleotide
  • CA · Calcium ion
  • ACT · Acetate ion
  • GOL · Glycerol

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