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) |
Structure validation
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