3KMM

Structure of human LCK kinase with a small molecule inhibitor

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	288	33523.1	1	UniProt (P06239) Pfam (PF07714) In PDB	Homo sapiens (human)	Lymphocyte cell-specific protein-tyrosine kinase, p56-LCK, LSK, T cell-specific protein-tyrosine kinase
2	A	3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one	non-polymer		515.4	1	Chemie (LHL)
3	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4		water	water		18.0	115	Chemie (HOH)

Sequence modifications

A: 229 - 509 (UniProt: P06239)

PDB	External Database	Details
Met 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
Phe 505	Tyr 505	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	33523.1
Non-Polymers*	Number of molecules	2
	Total formula weight	611.5
All*	Total formula weight	34134.6

*Water molecules are not included.