7P1P

Crystal structure of human acetylcholinesterase in complex with (E)-3-hydroxy-6-(3-(4-(4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)propyl)picolinaldehyde oxime

This is a non-PDB format compatible entry.

Summary for 7P1P

• Entry DOI: 10.2210/pdb7p1p/pdb
• Descriptor: Acetylcholinesterase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• Functional Keywords: acetylcholinesterase, , antidote, oxime, hydrolase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 123285.59

Authors

Ophelie, D.S.,Jose, D.,Florian, N. (deposition date: 2021-07-02, release date: 2021-12-29, Last modification date: 2024-01-31)

• Primary citation: Da Silva, O.,Probst, N.,Landry, C.,Hanak, A.S.,Warnault, P.,Coisne, C.,Calas, A.G.,Gosselet, F.,Courageux, C.,Gastellier, A.J.,Trancart, M.,Baati, R.,Dehouck, M.P.,Jean, L.,Nachon, F.,Renard, P.Y.,Dias, J.; A New Class of Bi- and Trifunctional Sugar Oximes as Antidotes against Organophosphorus Poisoning.; J.Med.Chem., 65:4649-4666, 2022; PubMed: 35255209; DOI: 10.1021/acs.jmedchem.1c01748

Experimental method

X-RAY DIFFRACTION (3.03 Å)