6GQM

Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Mast/stem cell growth factor receptor Kit	polymer	328	37332.6	2	UniProt (P10721) Pfam (PF07714) In PDB	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	A, B	~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide	non-polymer		479.5	2	Chemie (F8H)
3	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4		water	water		18.0	280	Chemie (HOH)

Sequence modifications

A, B: 551 - 934 (UniProt: P10721)

PDB	External Database	Details
Gly 547	-	expression tag
Ser 548	-	expression tag
His 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
Glu 688	Ser 688	conflict
Val 690	Ile 690	conflict
Pro 691	Cys 691	conflict
Tyr 692	Ser 692	conflict
Val 754	Ala 755	conflict
Ala 755	Ile 756	conflict
Pro 756	Met 757	conflict
Leu 759	-	insertion
Tyr 760	Asp 760	conflict
Lys 761	Glu 761	conflict
Asp 762	Leu 762	conflict
Phe 763	Ala 763	conflict
Thr 765	Asp 765	conflict
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	74665.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1029.9
All*	Total formula weight	75695.1

*Water molecules are not included.