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Ligand · 5DN

5DN · 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid

5DN, 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid (C16 H9 Br F N O2, 346.1 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
5DN
Formula
C16 H9 Br F N O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

5DN in 3 structures; the first of them:

  • 5DN3 · Aurora A in complex with ATP and AA35. · 5DN A402 · binds LYS166, LEU169, GLU175, LEU178, VAL182, TYR199, HIS201, VAL206
  • 5DOS · Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 · 5DN A402 · binds LYS166, LEU169, GLU170, GLU175, LEU178, ARG179, VAL182, TYR199 and 2 more
  • 5DT4 · Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 · 5DN A402 · binds LYS166, LEU169, GLU170, GLU175, ARG179, TYR199, HIS201, VAL206

Residues it binds most

GLU 3, LEU 3, VAL 3, HIS 3, LYS 3, TYR 3, ARG 2 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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