3OE4

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

Summary for 3OE4

Entry DOI	10.2210/pdb3oe4/pdb
Related	3NW9 3NWB 3NWE 3OE5
Descriptor	Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-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, membrane, metal-binding, phosphoprotein, s-adenosyl-l-methionine, signal-anchor, transferase, transmembrane, 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	25177.02
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 Cited by PubMed: 21538606 DOI: 10.1002/chem.201003648 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.49 Å)

Structure validation