7P1N

Crystal structure of human acetylcholinesterase in complex with (2R,3R,4S,5S,6R)-2-{4-[1-(4-{5-hydroxy-6-[(E)-(hydroxyimino)methyl]pyridin-2-yl}butyl)-1H-1,2,3-triazol-4-yl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol oxime

This is a non-PDB format compatible entry.

Summary for 7P1N

• Entry DOI: 10.2210/pdb7p1n/pdb
• Descriptor: Acetylcholinesterase, MAGNESIUM ION, 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, ... (11 entities in total)
• Functional Keywords: cholinesterase, glucoconjugated oximes, hydrolase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 123861.23

Authors

Da Silva, O.,Dias, J.,Nachon, F. (deposition date: 2021-07-02, release date: 2022-06-08, 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 (2.95 Å)