3HVI

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

Summary for 3HVI

Entry DOI	10.2210/pdb3hvi/pdb
Related	3HVH 3HVJ 3HVK
Descriptor	Catechol O-methyltransferase, MAGNESIUM ION, SODIUM ION, ... (7 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	1
Total formula weight	25557.92
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 Cited by PubMed: 19882607 DOI: 10.1002/anie.200904410 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.2 Å)

Structure validation