6FLD
Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1
Summary for 6FLD
Entry DOI | 10.2210/pdb6fld/pdb |
Descriptor | Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... (7 entities in total) |
Functional Keywords | acetylcholinesterase hybrid reactivators organophosphate inhibition structure-based optimization, hydrolase |
Biological source | Tetronarce californica (Pacific electric ray) |
Total number of polymer chains | 1 |
Total formula weight | 61948.95 |
Authors | De la Mora, E.,Santoni, G.,de Souza, J.,Sussman, J.,Silman, I.,Baati, R.,Weik, M.,Nachon, F. (deposition date: 2018-01-25, release date: 2018-08-29, Last modification date: 2020-07-29) |
Primary citation | Santoni, G.,de Sousa, J.,de la Mora, E.,Dias, J.,Jean, L.,Sussman, J.L.,Silman, I.,Renard, P.Y.,Brown, R.C.D.,Weik, M.,Baati, R.,Nachon, F. Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61:7630-7639, 2018 Cited by PubMed: 30125110DOI: 10.1021/acs.jmedchem.8b00592 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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