3BV3

Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2

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-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide	non-polymer		589.7	1	Chemie (P39)
3		water	water		18.0	94	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	589.7
All*	Total formula weight	42694.7

*Water molecules are not included.