4WA9

The crystal structure of human abl1 wild type kinase domain in complex with axitinib

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Tyrosine-protein kinase ABL1	polymer	286	33040.7	2	UniProt (P00519) Pfam (PF07714)	Homo sapiens (Human)	Abelson murine leukemia viral oncogene homolog 1,Abelson tyrosine-protein kinase 1,Proto-oncogene c-Abl,p150
2	C, D (B, A)	AXITINIB	non-polymer		386.5	2	Chemie (AXI)
3	E, F (B, A)	water	water		18.0	305	Chemie (HOH)

Sequence modifications

B, A: 246 - 512 (UniProt: P00519)

PDB	External Database	Details
Gly 227	-	expression tag
Ser 228	-	expression tag
Ser 229	-	expression tag
Pro 230	-	expression tag
Asn 231	-	expression tag
Tyr 232	-	expression tag
Asp 233	-	expression tag
Lys 234	-	expression tag
Trp 235	-	expression tag
Glu 236	-	expression tag
Met 237	-	expression tag
Glu 238	-	expression tag
Arg 239	-	expression tag
Thr 240	-	expression tag
Asp 241	-	expression tag
Ile 242	-	expression tag
Thr 243	-	expression tag
Met 244	-	expression tag
Lys 245	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66081.4
Non-Polymers*	Number of molecules	2
	Total formula weight	772.9
All*	Total formula weight	66854.4

*Water molecules are not included.