5KE4

Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 6 nicotinic acetylcholine receptor in complex with 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)- N,N-dimethylethanamine (BPC)

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	26272.2	5	UniProt (Q8WSF8) Pfam (PF02931)	Aplysia californica (California sea hare)
2	F, G, H, I (A, B, C, E)	2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine	non-polymer		290.4	4	Chemie (6S7)
3	J, K, L, M, N (A, B, C, D, E)	water	water		18.0	254	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	conflict
Lys 183	Arg 200	conflict
His 184	Gln 201	conflict
Asp 185	Val 202	conflict
Ile 186	Gln 203	conflict
Lys 187	His 204	conflict
Asn 189	Ser 206	conflict
Glu 192	Pro 209	conflict
Ile 194	Pro 211	conflict
Thr 196	Ile 213	conflict
Ser 220	-	expression tag
Arg 221	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	131360.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1161.6
All*	Total formula weight	132522.5

*Water molecules are not included.