2XYN

HUMAN ABL2 IN COMPLEX WITH AURORA KINASE INHIBITOR VX-680

Replaces:  3NSV

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	TYROSINE-PROTEIN KINASE ABL2	polymer	292	33543.4	3	UniProt (P42684) Pfam (PF07714) In PDB	HOMO SAPIENS (HUMAN)	ABELSON MURINE LEUKEMIA VIRAL ONCOGENE HOMOLOG 2, ABELSON-RELATED GENE PROTEIN, TYROSINE-PROTEIN KINASE ARG, ABL2
2	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
3	A, B, C	CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE	non-polymer		464.6	7	Chemie (VX6)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	13	Chemie (HOH)

Sequence modifications

A, B, C: 279 - 546 (UniProt: P42684)

PDB	External Database	Details
Met 255	-	expression tag
Gly 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag
His 259	-	expression tag
His 260	-	expression tag
His 261	-	expression tag
His 262	-	expression tag
Ser 263	-	expression tag
Ser 264	-	expression tag
Gly 265	-	expression tag
Val 266	-	expression tag
Asp 267	-	expression tag
Leu 268	-	expression tag
Gly 269	-	expression tag
Thr 270	-	expression tag
Glu 271	-	expression tag
Asn 272	-	expression tag
Leu 273	-	expression tag
Tyr 274	-	expression tag
Phe 275	-	expression tag
Gln 276	-	expression tag
Ser 277	-	expression tag
Met 278	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	100630.1
Non-Polymers*	Number of molecules	10
	Total formula weight	3333.5
All*	Total formula weight	103963.6

*Water molecules are not included.