9QXN

Crystal Structure of wild-type EGFR in complex with the reversible inhibitor Sevabertinib (BAY 2927088)

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (AAA)	Epidermal growth factor receptor	polymer	346	39570.7	1	UniProt (P00533) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
2	B, C (AAA)	SUCCINIC ACID	non-polymer		118.1	2	Chemie (SIN) PubChem (1110)
3	D (AAA)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL) PubChem (312)
4	E, G (AAA)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS) PubChem (679)
5	F (AAA)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	H (AAA)	3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{S})-1,4-dioxan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one	non-polymer		484.9	1	Chemie (A1JBI)
7	I (AAA)	water	water		18.0	450	Chemie (HOH)

Sequence modifications

AAA: 696 - 1022 (UniProt: P00533)

PDB	External Database	Details
Met 677	-	initiating methionine
Ser 678	-	expression tag
His 679	-	expression tag
His 680	-	expression tag
His 681	-	expression tag
His 682	-	expression tag
His 683	-	expression tag
Ala 684	-	expression tag
Met 685	-	expression tag
Thr 686	-	expression tag
Glu 687	-	expression tag
Asn 688	-	expression tag
Leu 689	-	expression tag
Tyr 690	-	expression tag
Phe 691	-	expression tag
Gln 692	-	expression tag
Gly 693	-	expression tag
Ala 694	-	expression tag
Met 695	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	39570.7
Non-Polymers*	Number of molecules	7
	Total formula weight	974.9
All*	Total formula weight	40545.6

*Water molecules are not included.