8PQD

c-KIT kinase domain in complex with avapritinib derivative 10

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)	Mast/stem cell growth factor receptor Kit	polymer	327	37194.4	2	UniProt (P10721) Pfam (PF07714)	Homo sapiens (human)	SCFR,Piebald trait protein,PBT,Proto-oncogene c-Kit,Tyrosine-protein kinase Kit,p145 c-kit,v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog
2	C, D (A, B)	~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide	non-polymer		540.6	2	Chemie (9VV)
3	E, F (A, B)	water	water		18.0	602	Chemie (HOH)

Sequence modifications

A, B: 551 - 687 (UniProt: P10721)

PDB	External Database	Details
Gly 548	-	expression tag
Ser 549	-	expression tag
Met 550	-	expression tag
Ser 563	Ile 563	engineered mutation
Ser 569	Val 569	engineered mutation
Gln 609	Tyr 609	engineered mutation
Ser 631	Leu 631	engineered mutation
Glu 651	Met 651	engineered mutation
His 662	Ile 662	engineered mutation

A, B: 766 - 934 (UniProt: P10721)

PDB	External Database	Details
Glu 688	-	linker
Phe 689	-	linker
Val 690	-	linker
Pro 691	-	linker
Tyr 752	-	linker
Lys 753	-	linker
Val 754	-	linker
Ala 755	-	linker
Pro 756	-	linker
Glu 757	-	linker
Asp 758	-	linker
Leu 759	-	linker
Tyr 760	-	linker
Lys 761	-	linker
Asp 762	-	linker
Phe 763	-	linker
Leu 764	-	linker
Thr 765	-	linker
His 768	Asp 768	engineered mutation
Asn 804	Arg 804	engineered mutation
Asp 825	Val 825	engineered mutation
Ser 844	Cys 844	engineered mutation
Ser 890	Leu 890	engineered mutation
Tyr 894	His 894	engineered mutation
Asp 912	Leu 912	engineered mutation
Asp 923	Leu 923	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74388.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1081.2
All*	Total formula weight	75470.1

*Water molecules are not included.