3E93

Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor

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	371	42666.7	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	4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide	non-polymer		496.6	1	Chemie (19B)
3	A	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
4		water	water		18.0	441	Chemie (HOH)

Sequence modifications

A: 1 - 360 (UniProt: Q16539)

PDB	External Database	Details
Met -10	-	initiating methionine
Lys -9	-	expression tag
Lys -8	-	expression tag
Gly -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Leu -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42666.7
Non-Polymers*	Number of molecules	4
	Total formula weight	772.9
All*	Total formula weight	43439.6

*Water molecules are not included.