9BY6

Crystal structure of the kinase domain of EGFR soaked with non-covalent osimertinib

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Epidermal growth factor receptor	polymer	338	38636.7	1	UniProt (P00533) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
2	B (A)	1,3-PROPANDIOL	non-polymer		76.1	1	Chemie (PDO)
3	C (A)	N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide	non-polymer		499.6	1	Chemie (YY3)
4	D (A)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 696 - 1022 (UniProt: P00533)

PDB	External Database	Details
Met 685	-	expression tag
Lys 686	-	expression tag
Lys 687	-	expression tag
Gly 688	-	expression tag
His 689	-	expression tag
His 690	-	expression tag
His 691	-	expression tag
His 692	-	expression tag
His 693	-	expression tag
His 694	-	expression tag
Gly 695	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38636.7
Non-Polymers*	Number of molecules	2
	Total formula weight	575.7
All*	Total formula weight	39212.4

*Water molecules are not included.