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3A7E

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

Summary for 3A7E
Entry DOI10.2210/pdb3a7e/pdb
Related1VID 3A7D 3BWM 3BWY
DescriptorCatechol O-methyltransferase, MAGNESIUM ION, S-ADENOSYLMETHIONINE, ... (5 entities in total)
Functional Keywordscomt, alternative initiation, catecholamine metabolism, magnesium, methyltransferase, neurotransmitter degradation, s-adenosyl-l-methionine, transferase, cell membrane, membrane, metal-binding, phosphoprotein, signal-anchor, transmembrane
Biological sourceHomo sapiens (human)
Cellular locationIsoform Soluble: Cytoplasm. Isoform Membrane-bound: Cell membrane; Single-pass type II membrane protein; Extracellular side : P21964
Total number of polymer chains1
Total formula weight24649.45
Authors
Tsuji, E. (deposition date: 2009-09-26, release date: 2010-09-15, Last modification date: 2023-11-01)
Primary citationNonaka, 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)
Structure validation

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