Fig. 6
Molecular interaction of harmine with DYRK2. a The crystal structure of human DYRK1A chain A bound to harmine (PDB ID: 3ANR), as previously published [13]. Chain A is colored blue, and the structure of harmine is colored red. b Crystal structure of human DYRK2 chain A (PDB ID: 4AZF, ligand removed), as previously published [21] and docked with harmine. Chain A is shown in blue, and harmine is colored red. The figure was created using SwissDock to dock the structure of harmine (ZINC ID: 27646846), as detailed on the ZINC molecule database, to the published structure of chain A of the human DYRK2 protein. The resulting conformation had a ΔG value of − 6.89 kJ mol−1 and was deemed best fit by the parameters set by SwissDock. c BLAST sequence alignment of DYRK1A (Accession No. Q13627) and DYRK2 (Accession No. AAH06375) using the NCBI Blastp online tool [24]. The query cover was 51%, with an identity of 41% and an E-value of 4 × 10−92. Identical amino acids between the two sequences have been highlighted