3HVJ

Rat catechol O-methyltransferase in complex with a catechol-type, N6-propyladenine-containing bisubstrate inhibitor

Summary for 3HVJ

• Entry DOI: 10.2210/pdb3hvj/pdb
• Related: 3HVH 3HVI 3HVK
• Descriptor: Catechol O-methyltransferase, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-propylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide, MAGNESIUM ION, ... (6 entities in total)
• Functional Keywords: methyltransferase, neurotransmitter degradation, alternative initiation, catecholamine metabolism, cell membrane, magnesium, membrane, metal-binding, phosphoprotein, s-adenosyl-l-methionine, signal-anchor, transferase, transmembrane
• 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: 2
• Total formula weight: 50967.23

Authors

Ehler, A.,Schlatter, D.,Stihle, M.,Benz, J.,Rudolph, M.G. (deposition date: 2009-06-16, release date: 2009-10-13, Last modification date: 2024-03-20)

• Primary citation: Ellermann, M.,Jakob-Roetne, R.,Lerner, C.,Borroni, E.,Schlatter, D.,Roth, D.,Ehler, A.,Rudolph, M.G.,Diederich, F.; Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.; Angew.Chem.Int.Ed.Engl., 48:9092-9096, 2009; PubMed: 19882607; DOI: 10.1002/anie.200904410

Experimental method

X-RAY DIFFRACTION (1.79 Å)