5J5I

X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol

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...)	Acetylcholine-binding protein	polymer	218	24859.5	10	UniProt (P58154) Pfam (PF02931)	Lymnaea stagnalis (Great pond snail)	AchBP
2	AA, EA, K, KA, NA... (E, F, A, G, H...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	10	Chemie (NAG)
3	BA, FA, GA, L, LA... (E, F, A, G, B...)	4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol	non-polymer		384.4	10	Chemie (6GM)
4	CA, DA, HA, IA, JA... (E, F, G, A, H...)	PHOSPHATE ION	non-polymer		95.0	21	Chemie (PO4)
5	AB, BB, CB, DB, EB... (B, C, D, E, F...)	water	water		18.0	470	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J: 1 - 210 (UniProt: P58154)

PDB	External Database	Details
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Lys 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	248595.0
Non-Polymers*	Number of molecules	41
	Total formula weight	8050.8
All*	Total formula weight	256645.8

*Water molecules are not included.