5DYY

Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)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	59774.5	2	UniProt (P06276) Pfam (PF00135)	Homo sapiens (Human)	Acylcholine acylhydrolase,Butyrylcholine esterase,Choline esterase II,Pseudocholinesterase
2	C (C)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
3	D, F (D, F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	E (E)	beta-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G61843VN)
5	G, H (G, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G28454KX)
6	I, J, K, Q, R (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
7	L, S, T (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
8	M, U (A, B)	N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide	non-polymer		394.5	2	Chemie (5HH)
9	N, V (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
10	AA, BA, CA, O, P... (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	9	Chemie (NAG)
11	DA, EA (A, B)	water	water		18.0	233	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119549.0
Branched	Number of molecules	6
	Total formula weight	2724.6
Non-Polymers*	Number of molecules	21
	Total formula weight	3497.5
All*	Total formula weight	125771.1

*Water molecules are not included.