5BRX

X-ray crystal structure of Aplysia californica (Ac-AChBP) in complex with 2-pyridyl azatricyclo[3.3.1.13,7]decane; 2-pyridylazaadamantane; 2-Aza (TI-8480)

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...	Soluble acetylcholine receptor	polymer	230	26235.1	10	UniProt (Q8WSF8) Pfam (PF02931) In PDB	Aplysia californica (California sea hare)
2	I, A, B, C, D...	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
3	I, A, D, F	(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane	non-polymer		214.3	4	Chemie (TI4)
4	H, J, A, C, E...	TETRAETHYLENE GLYCOL	non-polymer		194.2	6	Chemie (PG4)
5		water	water		18.0	525	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J: 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	10
	Total formula weight	262351.4
Non-Polymers*	Number of molecules	20
	Total formula weight	2983.2
All*	Total formula weight	265334.6

*Water molecules are not included.