5BW2

X-ray crystal structure of Aplysia californica acetylcholine binding protein (Ac-AChBP) Y55W in complex with 2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane; 2-(3-pyridyl)quinuclidine; 2-PQ (TI-4699)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E (A, B, C, D, E)	Soluble acetylcholine receptor	polymer	230	26235.1	5	UniProt (Q8WSF8) Pfam (PF02931)	Aplysia californica (California sea hare)
2	F, G, H, I (A, B, C, D)	(2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane	non-polymer		188.3	4	Chemie (4VU)
3	J, K, L, M, N (A, B, C, D, E)	water	water		18.0	462	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 219 (UniProt: Q8WSF8)

PDB	External Database	Details
Asp -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
Leu 0	-	expression tag
Trp 55	Tyr 72	engineered mutation
Ser 220	-	expression tag
Arg 221	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	131175.7
Non-Polymers*	Number of molecules	4
	Total formula weight	753.1
All*	Total formula weight	131928.8

*Water molecules are not included.