7D9P

Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 12

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)	Acetylcholinesterase	polymer	553	60825.5	2	UniProt (P22303) Pfam (PF00135)	Homo sapiens (Human)	AChE
2	C, D (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	E, F (A, B)	(2S)-2-[[4-fluoranyl-1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one	non-polymer		415.5	2	Chemie (H0R)

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.