6TT0

Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor

Summary for 6TT0

Entry DOI	10.2210/pdb6tt0/pdb
Descriptor	Acetylcholinesterase, (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (4 entities in total)
Functional Keywords	dual binding site inhibitor, chiral separation, acetylcholinesterase, alzheimer's disease, hydrolase
Biological source	Tetronarce californica (Pacific electric ray)
Total number of polymer chains	1
Total formula weight	66194.51
Authors	de la Mora, E.,Mangiatordi, G.F.,Belviso, B.D.,Caliandro, R.,Colletier, J.P.,Catto, M. (deposition date: 2019-12-22, release date: 2020-06-10, Last modification date: 2024-01-24)
Primary citation	Catto, M.,Pisani, L.,de la Mora, E.,Belviso, B.D.,Mangiatordi, G.F.,Pinto, A.,Palma, A.,Denora, N.,Caliandro, R.,Colletier, J.P.,Silman, I.,Nicolotti, O.,Altomare, C.D. Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor. Acs Med.Chem.Lett., 11:869-876, 2020 Cited by PubMed: 32435398 DOI: 10.1021/acsmedchemlett.9b00656 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.80003021833 Å)

Structure validation