3OE4

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

3OE4 の概要

• エントリーDOI: 10.2210/pdb3oe4/pdb
• 関連するPDBエントリー: 3NW9 3NWB 3NWE 3OE5
• 分子名称: 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)
• 機能のキーワード: 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
• 由来する生物種: Rattus norvegicus (Rat)
• 細胞内の位置: Isoform 2: Cytoplasm. Isoform 1: Cell membrane; Single-pass type II membrane protein; Extracellular side: P22734
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 25177.02

構造登録者

Ehler, A.,Schlatter, D.,Stihle, M.,Benz, J.,Rudolph, M.G. (登録日: 2010-08-12, 公開日: 2011-03-16, 最終更新日: 2024-04-03)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.49 Å)