6NPE

C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide

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	298	34708.6	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	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
3	A, B	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE	non-polymer		493.6	2	Chemie (STI)
4	A, B	2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide	non-polymer		312.2	2	Chemie (KWD)
5	B	NONAETHYLENE GLYCOL	non-polymer		414.5	1	Chemie (2PE)
6		water	water		18.0	179	Chemie (HOH)

Sequence modifications

A, B: 248 - 531 (UniProt: P00519)

PDB	External Database	Details
Met 234	-	expression tag
His 235	-	expression tag
His 236	-	expression tag
His 237	-	expression tag
His 238	-	expression tag
His 239	-	expression tag
His 240	-	expression tag
Glu 241	-	expression tag
Asn 242	-	expression tag
Leu 243	-	expression tag
Tyr 244	-	expression tag
Phe 245	-	expression tag
Gln 246	-	expression tag
Gly 247	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69417.1
Non-Polymers*	Number of molecules	9
	Total formula weight	2410.3
All*	Total formula weight	71827.4

*Water molecules are not included.