8AI7

Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate

Summary for 8AI7

Entry DOI	10.2210/pdb8ai7/pdb
Descriptor	Cholinesterase, 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	butyrylcholinesterase, complex, inhibitor, carbamate, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	63127.75
Authors	Brazzolotto, X.,Meden, A.,Knez, D.,Gobec, S.,Nachon, F. (deposition date: 2022-07-25, release date: 2023-02-01, Last modification date: 2024-02-07)
Primary citation	Meden, A.,Knez, D.,Brazzolotto, X.,Modeste, F.,Perdih, A.,Pislar, A.,Zorman, M.,Zorovic, M.,Denic, M.,Pajk, S.,Zivin, M.,Nachon, F.,Gobec, S. Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead. Eur.J.Med.Chem., 247:115048-115048, 2023 Cited by PubMed: 36586299 DOI: 10.1016/j.ejmech.2022.115048 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.13 Å)

Structure validation