9RJ4

Bub1 kinase domain in complex with inhibitor LEI221

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Mitotic checkpoint serine/threonine-protein kinase BUB1	polymer	364	41769.4	2	UniProt (O43683) Pfam (PF00069)	Homo sapiens (human)	hBUB1,BUB1A
2	C, G (A, B)	5-chloranyl-1-[[4-ethoxy-2,6-bis(fluoranyl)phenyl]methyl]-3-[5-methoxy-4-(1H-pyrazol-4-ylamino)pyrimidin-2-yl]pyridin-2-one	non-polymer		488.9	2	Chemie (A1JG7)
3	D, E, H, I, J (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL) PubChem (753)
4	F, K (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA) PubChem (271)
5	L, M (A, B)	water	water		18.0	296	Chemie (HOH)

Sequence modifications

A, B: 725 - 1085 (UniProt: O43683)

PDB	External Database	Details
Gly 722	-	expression tag
Pro 723	-	expression tag
Gly 724	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83538.8
Non-Polymers*	Number of molecules	9
	Total formula weight	1518.4
All*	Total formula weight	85057.2

*Water molecules are not included.