7P1P

Crystal structure of human acetylcholinesterase in complex with (E)-3-hydroxy-6-(3-(4-(4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-1H-1,2,3-triazol-1-yl)propyl)picolinaldehyde 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	A, C (aa, bb)	Acetylcholinesterase	polymer	257	27775.5	2	UniProt (P22303) Pfam (PF00135)	Homo sapiens (Human)	AChE
2	B, D (A, B)	Acetylcholinesterase	polymer	282	31478.5	2	UniProt (P22303) Pfam (PF00135)	Homo sapiens (Human)	AChE
3	E (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	F (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	G (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	H (aa)	(2R,3R,4S,5S,6R)-2-[4-[1-[3-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]propyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	non-polymer		481.5	1	Chemie (4IX)
7	BA, CA, HA, I, IA... (bb, B, aa, A)	SULFATE ION	non-polymer		96.1	15	Chemie (SO4)
8	AA, EA, FA, GA, L... (A, bb, aa, B)	CHLORIDE ION	non-polymer		35.5	22	Chemie (CL)
9	DA, LA, MA, U (bb, B, A)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
10	AB, XA, YA, ZA (B, aa, A, bb)	water	water		18.0	201	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	42
	Total formula weight	2799.6
All*	Total formula weight	123285.6

*Water molecules are not included.