6NPU

C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-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	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)
3	A, B	~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide	non-polymer		272.1	2	Chemie (KWV)
4	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
5	B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	B	NONAETHYLENE GLYCOL	non-polymer		414.5	1	Chemie (2PE)
7		water	water		18.0	72	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	8
	Total formula weight	2226.2
All*	Total formula weight	71643.3

*Water molecules are not included.