3R6T

Rat catechol o-methyltransferase in complex with the bisubstrate inhibitor 4'-fluoro-4,5-dihydroxy-biphenyl-3-carboxylic acid {(E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-purin-9-yl)-tetrahydro-furan-2-yl]-allyl}-amide

Summary for 3R6T

• Entry DOI: 10.2210/pdb3r6t/pdb
• Related: 3NWB 3NWE 3S68 3U81
• Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, CHLORIDE ION, ... (8 entities in total)
• Functional Keywords: methyltransferase, neurotransmitter degradation, alternative initiation, catecholamine metabolism, metal-binding, s-adenosyl-l-methionine, 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: 25882.15

Authors

Ehler, A.,Schlatter, D.,Stihle, M.,Benz, J.,Rudolph, M.G. (deposition date: 2011-03-22, release date: 2012-02-01, Last modification date: 2024-02-21)

• Primary citation: Ellermann, M.,Lerner, C.,Burgy, G.,Ehler, A.,Bissantz, C.,Jakob-Roetne, R.,Paulini, R.,Allemann, O.,Tissot, H.,Grunstein, D.,Stihle, M.,Diederich, F.,Rudolph, M.G.; Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.; Acta Crystallogr.,Sect.D, 68:253-260, 2012; PubMed: 22349227; DOI: 10.1107/S0907444912001138

Experimental method

X-RAY DIFFRACTION (1.2 Å)