Crystal structure of human monoamine oxidase B in complex with the multi-target inhibitor ASS234

Kinetic and Structural Analysis of the Irreversible Inhibition of Human Monoamine Oxidases by Ass234, a Multi-Target Compound Designed for Use in Alzheimer'S Disease.

MONOAMINE OXIDASE B, MONOAMINE OXIDASE TYPE B, MAO-B

MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETY
KVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTES
AKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQ
TRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGE
EAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTT
YFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTT
FLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.

AMINE OXIDASE [FLAVIN-CONTAINING] B (E.C.1.4.3.4)

OXIDOREDUCTASE, ENZYME, FLAVIN, DRUG DESIGN, ALZHEIMER'S DISEASE

Binding site for residues FAD A 600 and ASS A 601

Binding site for residues FAD B 600 and ASS B 601