6H13

Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Acetylcholinesterase	polymer	565	63764.0	2	UniProt (P04058) Pfam (PF00135) In PDB	Tetronarce californica (Pacific electric ray)	AChE
2	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
3	A, B	[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium	non-polymer		673.8	2	Chemie (FJN)
4	A, B	CHLORIDE ION	non-polymer		35.5	13	Chemie (CL)
5	B, A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	B, A	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
7	B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
8		water	water		18.0	220	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	127527.9
Non-Polymers*	Number of molecules	28
	Total formula weight	4014.8
All*	Total formula weight	131542.7

*Water molecules are not included.