5TVC

Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)

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,Neuronal acetylcholine receptor subunit alpha-3 chimera	polymer	230	26315.3	5	UniProt (Q8WSF8) UniProt (P32297) Pfam (PF02931)	Aplysia californica (California sea hare)
2	F, G, I, K, M... (A, B, C, D, E)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
3	H (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
4	J, L, N, P (B, C, D, E)	(E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine	non-polymer		268.4	4	Chemie (7LB)
5	Q, R, S, T, U (A, B, C, D, E)	water	water		18.0	478	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 181 (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

A, B, C, D, E: 182 - 197 (UniProt: P32297)
A, B, C, D, E: 198 - 219 (UniProt: Q8WSF8)

PDB	External Database	Details
Val 199	Asn 216	engineered mutation
Ser 220	-	expression tag
Arg 221	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	131576.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1888.1
All*	Total formula weight	133464.5

*Water molecules are not included.