7D9O

Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Acetylcholinesterase	polymer	553	60825.5	2	UniProt (P22303) Pfam (PF00135) In PDB	Homo sapiens (Human)	AChE
2	C, 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	2	In PDB GlyTouCan (G21290RB)
3	A, B	(2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one	non-polymer		415.5	2	Chemie (H0L)
4		water	water		18.0	242	Chemie (HOH)

Sequence modifications

A, B: 1 - 543 (UniProt: P22303)

PDB	External Database	Details
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	121651.0
Branched	Number of molecules	2
	Total formula weight	1141.1
Non-Polymers*	Number of molecules	2
	Total formula weight	830.9
All*	Total formula weight	123623.0

*Water molecules are not included.