8C1K

Aurora A kinase in complex with TPX2-inhibitor CAM2602

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Aurora kinase A	polymer	273	31805.5	1	UniProt (O14965) Pfam (PF00069)	Homo sapiens (human)	Aurora 2,Aurora/IPL1-related kinase 1,ARK-1,Aurora-related kinase 1,Breast tumor-amplified kinase,Ipl1- and aurora-related kinase 1,Serine/threonine-protein kinase 15,Serine/threonine-protein kinase 6,Serine/threonine-protein kinase Ayk1,Serine/threonine-protein kinase aurora-A
2	B (A)	4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide	non-polymer		485.0	1	Chemie (T4O)
3	C (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
4	D, E (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	F (A)	(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid	non-polymer		172.2	1	Chemie (T5L)
6	G, H, I, J, K (A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
7	L, M, N (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
8	O (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
9	P (A)	water	water		18.0	39	Chemie (HOH)

Sequence modifications

A: 126 - 390 (UniProt: O14965)

PDB	External Database	Details
Met 124	-	initiating methionine
Gly 125	-	expression tag
Ala 290	Cys 290	engineered mutation
His 391	-	expression tag
His 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	31805.5
Non-Polymers*	Number of molecules	14
	Total formula weight	1906.7
All*	Total formula weight	33712.2

*Water molecules are not included.