7XGI
COMT SAH Mg opicapone complex
Summary for 7XGI
| Entry DOI | 10.2210/pdb7xgi/pdb |
| Descriptor | Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, Opicapone, ... (5 entities in total) |
| Functional Keywords | enzyme, complex, s -adenosylhomocystein, parkinson disease, transferase |
| Biological source | Rattus norvegicus (Norway rat) |
| Total number of polymer chains | 1 |
| Total formula weight | 25738.42 |
| Authors | Takebe, K.,Kuwada-Kusunose, T.,Suzuki, M.,Iijima, H. (deposition date: 2022-04-04, release date: 2023-04-12, Last modification date: 2023-11-29) |
| Primary citation | Takebe, K.,Suzuki, M.,Kuwada-Kusunose, T.,Shirai, S.,Fukuzawa, K.,Takamiya, T.,Uzawa, N.,Iijima, H. Structural and Computational Analyses of the Unique Interactions of Opicapone in the Binding Pocket of Catechol O -Methyltransferase: A Crystallographic Study and Fragment Molecular Orbital Analyses. J.Chem.Inf.Model., 63:4468-4476, 2023 Cited by PubMed: 37436881DOI: 10.1021/acs.jcim.3c00331 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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