3FML

P38 kinase crystal structure in complex with RO6224

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Mitogen-activated protein kinase 14	polymer	372	42748.7	1	UniProt (Q16539) Pfam (PF00069) In PDB	Homo sapiens (human)	Mitogen-activated protein kinase p38 alpha, MAP kinase p38 alpha, Cytokine suppressive anti-inflammatory drug-binding protein, CSAID-binding protein, CSBP, MAX-interacting protein 2, MAP kinase MXI2, SAPK2A
2	A	6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine	non-polymer		383.4	1	Chemie (FML)
3		water	water		18.0	156	Chemie (HOH)

Sequence modifications

A: 1 - 360 (UniProt: Q16539)

PDB	External Database	Details
Met -11	-	expression tag
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42748.7
Non-Polymers*	Number of molecules	1
	Total formula weight	383.4
All*	Total formula weight	43132.1

*Water molecules are not included.