5K09

Crystal Structure of COMT in complex with a thiazole ligand

Summary for 5K09

Entry DOI	10.2210/pdb5k09/pdb
Descriptor	Catechol O-methyltransferase, 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, POTASSIUM ION, ... (5 entities in total)
Functional Keywords	methyltransferase, neurotransmitter degradation, catechol, transferase
Biological source	Rattus norvegicus (Norway Rat)
Total number of polymer chains	24
Total formula weight	592585.40
Authors	Ehler, A.,Rodriguez-Sarmiento, R.M.,Rudolph, M.G. (deposition date: 2016-05-17, release date: 2016-09-07, Last modification date: 2019-06-12)
Primary citation	Lerner, C.,Jakob-Roetne, R.,Buettelmann, B.,Ehler, A.,Rudolph, M.,Rodriguez Sarmiento, R.M. Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59:10163-10175, 2016 Cited by PubMed: 27685665 DOI: 10.1021/acs.jmedchem.6b00927 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation