3HMI

The crystal structure of human ABL2 in complex with 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Tyrosine-protein kinase ABL2	polymer	292	33543.4	1	UniProt (P42684) Pfam (PF07714)	Homo sapiens (human)	Abelson murine leukemia viral oncogene homolog 2, Abelson-related gene protein, Tyrosine kinase ARG
2	B (A)	5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE	non-polymer		425.4	1	Chemie (DKI)
3	C (A)	water	water		18.0	235	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	33543.4
Non-Polymers*	Number of molecules	1
	Total formula weight	425.4
All*	Total formula weight	33968.8

*Water molecules are not included.