4YC8

C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tyrosine-protein kinase ABL1	polymer	287	33223.0	2	UniProt (P00519) Pfam (PF07714) In PDB	Homo sapiens (Human)	Abelson murine leukemia viral oncogene homolog 1,Abelson tyrosine-protein kinase 1,Proto-oncogene c-Abl,p150
2	A, B	2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide	non-polymer		531.6	2	Chemie (4B7)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	A, B	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
5		water	water		18.0	11	Chemie (HOH)

Sequence modifications

A, B: 229 - 512 (UniProt: P00519)

PDB	External Database	Details
Gly 226	-	expression tag
His 227	-	expression tag
Met 228	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66446.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1577.9
All*	Total formula weight	68023.8

*Water molecules are not included.