3EN5

Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor

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)	Proto-oncogene tyrosine-protein kinase Src	polymer	286	32726.6	2	UniProt (P00523) Pfam (PF07714)	Gallus gallus (bantam chickens)	pp60c-src, p60-Src, c-Src
2	C, D (A, B)	1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	non-polymer		325.4	2	Chemie (KS4)
3	E, F (A, B)	water	water		18.0	14	Chemie (HOH)

Sequence modifications

A, B: 251 - 533 (UniProt: P00523)

PDB	External Database	Details
Gly 248	-	expression tag
His 249	-	expression tag
Met 250	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65453.3
Non-Polymers*	Number of molecules	2
	Total formula weight	650.7
All*	Total formula weight	66104.0

*Water molecules are not included.