9HBO

Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations. Compound 51 bound to EGFRinsNPG [V948R]

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, B (A, B)	Epidermal growth factor receptor	polymer	332	37774.6	2	UniProt (P00533) Pfam (PF07714)	Homo sapiens (human)	Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
2	C, D (A, B)	1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one	non-polymer		485.4	2	Chemie (A1IUK)
3	E, F (A, B)	water	water		18.0	120	Chemie (HOH)

Sequence modifications

A, B: 695 - 1025 (UniProt: P00533)

PDB	External Database	Details
Gly 694	-	expression tag
Gly 773	-	insertion
Asn 774	-	insertion
Pro 775	-	insertion
Arg 951	Val 948	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75549.2
Non-Polymers*	Number of molecules	2
	Total formula weight	970.9
All*	Total formula weight	76520.1

*Water molecules are not included.