4XII

X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cholinesterase	polymer	544	61491.4	2	UniProt (P06276) Pfam (PF00135) In PDB	Homo sapiens (Human)	Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase
2	C	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G28454KX)
3	D, E, F, G	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	4	In PDB GlyTouCan (G42666HT)
4	A, B	N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide	non-polymer		504.6	2	Chemie (40V)
5	B, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	10	Chemie (NAG)
6	A, B	beta-L-fucopyranose	non-polymer		164.2	3	Chemie (FUL)
7	A	alpha-L-fucopyranose	non-polymer		164.2	1	Chemie (FUC)
8	B, A	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	B, A	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
10		water	water		18.0	62	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122982.8
Branched	Number of molecules	5
	Total formula weight	2268.1
Non-Polymers*	Number of molecules	24
	Total formula weight	4267.9
All*	Total formula weight	129518.9

*Water molecules are not included.