6FQN

Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 2

Summary for 6FQN

Entry DOI	10.2210/pdb6fqn/pdb
Descriptor	Acetylcholinesterase, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (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	61988.83
Authors	De la Mora, E.,Santoni, G.,de Souza, J.,Sussman, J.,Silman, I.,Baati, R.,Weik, M.,Nachon, F. (deposition date: 2018-02-14, 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: 30125110 DOI: 10.1021/acs.jmedchem.8b00592 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.30002662121 Å)

Structure validation