3A7E

Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol

Summary for 3A7E

• Entry DOI: 10.2210/pdb3a7e/pdb
• Related: 1VID 3A7D 3BWM 3BWY
• Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, S-ADENOSYLMETHIONINE, ... (5 entities in total)
• Functional Keywords: comt, alternative initiation, catecholamine metabolism, magnesium, methyltransferase, neurotransmitter degradation, s-adenosyl-l-methionine, transferase, cell membrane, membrane, metal-binding, phosphoprotein, signal-anchor, transmembrane
• Biological source: Homo sapiens (human)
• Cellular location: Isoform Soluble: Cytoplasm. Isoform Membrane-bound: Cell membrane; Single-pass type II membrane protein; Extracellular side : P21964
• Total number of polymer chains: 1
• Total formula weight: 24649.45

Authors

Tsuji, E. (deposition date: 2009-09-26, release date: 2010-09-15, Last modification date: 2023-11-01)

• Primary citation: Nonaka, Y.,Momose, T.,Ozawa, T.,Ozawa, M.,Nakatsu, M.,Tsuji, E.,Okazaki, K.,Takase, Y.,Kiyotani, T.; Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs; To be Published,

Experimental method

X-RAY DIFFRACTION (2.8 Å)