4A16

Structure of mouse Acetylcholinesterase complex with Huprine derivative

Summary for 4A16

Entry DOI	10.2210/pdb4a16/pdb
Related	1C2B 1C2O 1J06 1J07 1KU6 1MAA 1MAH 1N5M 1N5R 1Q83 1Q84 2C0P 2C0Q 2H9Y 2HA0 2HA2 2HA3 2HA4 2HA5 2HA6 2HA7 2JEY 2JEZ 2JF0 2JGE 2JGF 2JGG 2JGH 2JGI 2JGJ 2JGK 2JGL 2JGM 2WHP 2WHQ 2WHR 2WLS 2WU3 2WU4 2XUD 2XUF 2XUG 2XUH 2XUI 2XUJ 2XUK 2XUO 2XUP 2XUQ 2Y2U 2Y2V
Descriptor	ACETYLCHOLINESTERASE, (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, SULFATE ION, ... (6 entities in total)
Functional Keywords	hydrolase
Biological source	MUS MUSCULUS (HOUSE MOUSE)
Total number of polymer chains	4
Total formula weight	243001.59
Authors	Carletti, E.,Colletier, J.P.,Nachon, F.,Weik, M.,Ronco, C.,Jean, L.,Renard, P.Y. (deposition date: 2011-09-14, release date: 2012-03-28, Last modification date: 2023-12-20)
Primary citation	Ronco, C.,Carletti, E.,Colletier, J.,Weik, M.,Nachon, F.,Jean, L.,Renard, P. Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography. Chemmedchem, 7:400-, 2012 Cited by PubMed: 22052791 DOI: 10.1002/CMDC.201100438 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.65 Å)

Structure validation