8D73

Crystal Structure of EGFR LRTM with compound 7

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)	Epidermal growth factor receptor	polymer	348	39797.8	2	UniProt (P00533) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
2	C, E (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D, F (A, B)	(3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol	non-polymer		412.5	2	Chemie (QCR)
4	G, H (A, B)	water	water		18.0	674	Chemie (HOH)

Sequence modifications

A, B: 695 - 1022 (UniProt: P00533)

PDB	External Database	Details
Met 675	-	initiating methionine
Gly 676	-	expression tag
Ser 677	-	expression tag
Ser 678	-	expression tag
His 679	-	expression tag
His 680	-	expression tag
His 681	-	expression tag
His 682	-	expression tag
His 683	-	expression tag
His 684	-	expression tag
Ser 685	-	expression tag
Ser 686	-	expression tag
Gly 687	-	expression tag
Glu 688	-	expression tag
Asn 689	-	expression tag
Leu 690	-	expression tag
Tyr 691	-	expression tag
Phe 692	-	expression tag
Gln 693	-	expression tag
Gly 694	-	expression tag
Met 790	Thr 790	engineered mutation
Arg 858	Leu 858	engineered mutation
Arg 948	Val 948	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79595.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1009.1
All*	Total formula weight	80604.7

*Water molecules are not included.