3BV2

Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30

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	366	42105.0	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	5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide	non-polymer		588.7	1	Chemie (P38)
3		water	water		18.0	97	Chemie (HOH)

Sequence modifications

A: 2 - 360 (UniProt: Q16539)

PDB	External Database	Details
Met -5	-	expression tag
Ala -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42105.0
Non-Polymers*	Number of molecules	1
	Total formula weight	588.7
All*	Total formula weight	42693.7

*Water molecules are not included.