3FC1

Crystal structure of p38 kinase bound to pyrimido-pyridazinone inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	X	Mitogen-activated protein kinase 14	polymer	366	41998.9	1	UniProt (Q16539) Pfam (PF00069) In PDB	Homo sapiens	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	X	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	X	5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one	non-polymer		436.3	1	Chemie (52P)
4		water	water		18.0	133	Chemie (HOH)

Sequence modifications

X: 1 - 360 (UniProt: Q16539)

PDB	External Database	Details
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Leu -1	-	expression tag
Glu 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41998.9
Non-Polymers*	Number of molecules	2
	Total formula weight	471.7
All*	Total formula weight	42470.7

*Water molecules are not included.