5DYT

Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-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, E, G (C, E, G)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	3	In PDB GlyTouCan (G21290RB)
3	D, F, H (D, F, H)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	3	In PDB GlyTouCan (G42666HT)
4	I (I)	alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		367.3	1	In PDB GlyTouCan (G86851RC)
5	J, K, T, U, V... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	8	Chemie (NAG)
6	AA, L (B, A)	N-{[(3R)-1-benzylpiperidin-3-yl]methyl}-N-methylnaphthalene-2-sulfonamide	non-polymer		408.6	2	Chemie (5HB)
7	BA, CA, M, N, O (B, A)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
8	DA, EA, FA, P (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
9	GA, HA, IA, Q, R... (B, A)	UNKNOWN LIGAND	non-polymer			6	Chemie (UNX)
10	W (B)	beta-L-fucopyranose	non-polymer		164.2	1	Chemie (FUL)
11	JA (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
12	KA, LA (A, B)	water	water		18.0	232	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119549.0
Branched	Number of molecules	7
	Total formula weight	3352.2
Non-Polymers*	Number of molecules	27
	Total formula weight	3565.8
All*	Total formula weight	126467.0

*Water molecules are not included.