3OE5

Rat catechol O-methyltransferase in complex with a catechol-type, pyridylsulfanyl-containing inhibitor - humanized form

Summary for 3OE5

• Entry DOI: 10.2210/pdb3oe5/pdb
• Related: 3NW9 3NWB 3NWE 3OE4
• Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5S)-3,4-dihydroxy-5-pyridin-4-ylsulfanyl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide, ... (4 entities in total)
• Functional Keywords: methyltransferase, neurotransmitter degradation, alternative initiation, catecholamine metabolism, cell membrane, magnesium, metal-binding, phosphoprotein, s-adenosyl-l-methionine, signal-anchor, transferase, transmembrane methyltransferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Rattus norvegicus (Rat)
• Cellular location: Isoform 2: Cytoplasm. Isoform 1: Cell membrane; Single-pass type II membrane protein; Extracellular side: P22734
• Total number of polymer chains: 1
• Total formula weight: 25168.07

Authors

Ehler, A.,Schlatter, D.,Stihle, M.,Benz, J.,Rudolph, M.G. (deposition date: 2010-08-12, release date: 2011-03-16, Last modification date: 2024-04-03)

• Primary citation: Ellermann, M.,Paulini, R.,Jakob-Roetne, R.,Lerner, C.,Borroni, E.,Roth, D.,Ehler, A.,Schweizer, W.B.,Schlatter, D.,Rudolph, M.G.,Diederich, F.; Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors; Chemistry, 17:6369-6381, 2011; PubMed: 21538606; DOI: 10.1002/chem.201003648

Experimental method

X-RAY DIFFRACTION (1.52 Å)