7P1N

Crystal structure of human acetylcholinesterase in complex with (2R,3R,4S,5S,6R)-2-{4-[1-(4-{5-hydroxy-6-[(E)-(hydroxyimino)methyl]pyridin-2-yl}butyl)-1H-1,2,3-triazol-4-yl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol oxime

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	aa, bb	Acetylcholinesterase	polymer	257	27775.5	2	UniProt (P22303) Pfam (PF00135) In PDB	Homo sapiens (Human)	AChE
2	A, B	Acetylcholinesterase	polymer	282	31478.5	2	UniProt (P22303) Pfam (PF00135) In PDB	Homo sapiens (Human)	AChE
3	C	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		732.7	1	In PDB GlyTouCan (G32152BH)
4	D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G21290RB)
5	E	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		674.6	1	In PDB GlyTouCan (G00065MO)
6	aa	(2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	non-polymer		495.5	2	Chemie (4J1)
7	bb, aa, B, A	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
8	A, B, bb, aa	CHLORIDE ION	non-polymer		35.5	26	Chemie (CL)
9	aa	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
10	bb, B, A	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
11		water	water		18.0	211	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	118508.1
Branched	Number of molecules	3
	Total formula weight	1977.8
Non-Polymers*	Number of molecules	47
	Total formula weight	3375.3
All*	Total formula weight	123861.2

*Water molecules are not included.