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Ligand · 9BU

9BU · (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate

9BU, (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (C22 H29 Cl O5, 408.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
9BU
Formula
C22 H29 Cl O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

9BU in 2 structures; the first of them:

  • 5ZFA · Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr · 9BU A409 · binds MET43, LEU46, GLN47, LEU50, PRO52, ALA55, HIS56, LEU58 and 10 more
  • 5ZFA · Structure of human dihydroorotate dehydrogenase in complex with 287- 12-ocoipr · 9BU A409 · binds MET43, LEU46, GLN47, LEU50, PRO52, ALA55, HIS56, LEU58 and 10 more

Residues it binds most

LEU 2, ALA 2, PHE 2, PRO 2, THR 2, ARG 2, GLN 2, HIS 2, MET 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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