6G4N

Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 2

Summary for 6G4N

• Entry DOI: 10.2210/pdb6g4n/pdb
• Descriptor: Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ... (5 entities in total)
• Functional Keywords: acetylcholinesterase, tabun, nerve agent, hydrolase
• Biological source: Tetronarce californica (Pacific electric ray)
• Total number of polymer chains: 2
• Total formula weight: 123247.19

Authors

Santoni, G.,De la Mora, E.,de Souza, J.,Silman, I.,Sussman, J.,Baati, R.,Weik, M.,Nachon, F. (deposition date: 2018-03-28, release date: 2018-08-29, Last modification date: 2024-01-17)

• 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; PubMed: 30125110; DOI: 10.1021/acs.jmedchem.8b00592

Experimental method

X-RAY DIFFRACTION (2.9 Å)