2WTV

Aurora-A Inhibitor Structure

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 (A, B, C, D)	SERINE/THREONINE-PROTEIN KINASE 6 AURORA/IPL1-RELATED KINASE 1, BREAST TUMOR-AMPLIFIED KINASE, AURORA-A, AURORA-RELATED KINASE 1, HARK1	polymer	285	33228.9	4	UniProt (O14965) Pfam (PF00069)	HOMO SAPIENS (HUMAN)
2	AA, E, J, W (D, A, B, C)	4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID	non-polymer		476.9	4	Chemie (ZZL)
3	BA, F, N, O, P... (D, A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
4	CA, DA, G, H, L... (D, A, B, C)	ACETATE ION	non-polymer		59.0	9	Chemie (ACT)
5	I, K (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
6	EA, FA, GA, HA (A, B, C, D)	water	water		18.0	743	Chemie (HOH)

Sequence modifications

A, B, C, D: 119 - 121 (PDB: 2WTV)
A, B, C, D: 122 - 403 (UniProt: O14965)

PDB	External Database	Details
Arg 215	Leu 215	engineered mutation
Glu 217	Thr 217	engineered mutation
Lys 220	Arg 220	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132915.6
Non-Polymers*	Number of molecules	26
	Total formula weight	3277.9
All*	Total formula weight	136193.4

*Water molecules are not included.