9F6R

Crystal structure of human acetylcholinesterase in complex with the uncharged hybrid reactivator quinoline-3-hydroxy-pyridinaldoxime

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	A, B (A, B)	Acetylcholinesterase	polymer	543	59618.3	2	UniProt (P22303) Pfam (PF00135)	Myxococcaceae	AChE
2	C (C)	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)
3	D (D)	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	E (H)	N-acetyl-alpha-neuraminic acid-(2-3)-beta-L-galactopyranose	branched		471.4	1	In PDB GlyTouCan (G43945QB)
5	DD, ED, F, FD, G... (B, A)	SULFATE ION	non-polymer		96.1	25	Chemie (SO4)
6	AA, QD, RD, S, SD... (A, B)	GLYCEROL	non-polymer		92.1	14	Chemie (GOL)
7	BA, TD (A, B)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
8	CA (A)	2-[(~{Z})-hydroxyiminomethyl]-6-[4-(quinolin-4-ylamino)butyl]pyridin-3-ol	non-polymer		336.4	1	Chemie (A1IAS)
9	AE, BE, CE, DA, DE... (B, A)	CHLORIDE ION	non-polymer		35.5	43	Chemie (CL)
10	AB, AC, AF, AG, BB... (A, B)	SODIUM ION	non-polymer		23.0	82	Chemie (NA)
11	AD, BD, CD, FG, GG... (A, B)	MAGNESIUM ION	non-polymer		24.3	16	Chemie (MG)
12	PD (B)	N-Acetyl-D-Talosamine	non-polymer		221.2	1	Chemie (A1AAJ)
13	WD (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
14	IG, JG (A, B)	water	water		18.0	371	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	119236.5
Branched	Number of molecules	3
	Total formula weight	1774.6
Non-Polymers*	Number of molecules	185
	Total formula weight	8582.7
All*	Total formula weight	129593.8

*Water molecules are not included.