1JR4

CATECHOL O-METHYLTRANSFERASE BISUBSTRATE-INHIBITOR COMPLEX

Summary for 1JR4

• Entry DOI: 10.2210/pdb1jr4/pdb
• Related: 1VID
• Descriptor: CATECHOL O-METHYLTRANSFERASE, SOLUBLE FORM, MAGNESIUM ION, N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE, ... (4 entities in total)
• Functional Keywords: transferase, methyltransferase, neurotransmitter degradation, bisubstrate inhibitor
• Biological source: Rattus norvegicus (Norway 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: 25270.10

Authors

Ruf, A.,Stihle, M. (deposition date: 2001-08-10, release date: 2002-08-10, Last modification date: 2024-04-03)

• Primary citation: Lerner, C.,Ruf, A.,Gramlich, V.,Masjost, B.,Zurcher, G.,Jakob-Roetne, R.,Borroni, E.,Diederich, F.; X-ray Crystal Structure of a Bisubstrate Inhibitor Bound to the Enzyme Catechol-O-methyltransferase: A Dramatic Effect of Inhibitor Preorganization on Binding Affinity.; Angew.Chem.Int.Ed.Engl., 40:4040-4042, 2001; PubMed: 12404486; DOI: 10.1002/1521-3773(20011105)40:21<4040::AID-ANIE4040>3.0.CO;2-C

Experimental method

X-RAY DIFFRACTION (2.63 Å)