5DYW

Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Cholinesterase	polymer	530	59758.5	2	UniProt (P06276) Pfam (PF00135)	Homo sapiens (Human)	Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase
2	C, E, G (C, E, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
3	D, F (D, F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G21290RB)
4	H, I, J, K (H, I, J, K)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	4	In PDB GlyTouCan (G28454KX)
5	AA, L (B, A)	N-{[(3S)-1-benzylpiperidin-3-yl]methyl}-N-(2-methoxyethyl)naphthalene-2-sulfonamide	non-polymer		452.6	2	Chemie (5HF)
6	BA, CA, DA, EA, FA... (B, A)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
7	GA, HA, IA, Q, R... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
8	JA, KA, W, X (B, A)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	Y (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
10	LA, MA, NA, OA, PA... (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	6	Chemie (NAG)
11	QA, RA (A, B)	water	water		18.0	285	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119517.0
Branched	Number of molecules	9
	Total formula weight	4696.5
Non-Polymers*	Number of molecules	31
	Total formula weight	3956.0
All*	Total formula weight	128169.4

*Water molecules are not included.