3AC5

Crystal structure of triazolo pyrimidine derivative bound to the kinase domain of human LCK, (auto-phosphorylated on TYR394)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Proto-oncogene tyrosine-protein kinase LCK	polymer	285	33065.6	1	UniProt (P06239) Pfam (PF07714) In PDB	Homo sapiens (human)	LYMPHOCYTE KINASE, LCK, Lymphocyte cell-specific protein-tyrosine kinase, p56-LCK, LSK, T cell-specific protein-tyrosine kinase
2	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	A	5-{[(1R,2S)-2-aminocyclohexyl]amino}-7-[(3,5-dimethoxyphenyl)amino]-2-(3-hydroxyphenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide	non-polymer		518.6	1	Chemie (KZM)
5		water	water		18.0	176	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33065.6
Non-Polymers*	Number of molecules	4
	Total formula weight	788.8
All*	Total formula weight	33854.4

*Water molecules are not included.