5XYY

The structure of p38 alpha in complex with a triazol inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Mitogen-activated protein kinase 14	polymer	380	43514.5	1	UniProt (Q16539) Pfam (PF00069)	Homo sapiens (human)	MAPK 14,Cytokine suppressive anti-inflammatory drug-binding protein,CSBP,MAP kinase MXI2,MAX-interacting protein 2,Mitogen-activated protein kinase p38 alpha,MAP kinase p38 alpha,Stress-activated protein kinase 2a,SAPK2a
2	B (A)	3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol	non-polymer		318.7	1	Chemie (P0F)
3	C (A)	water	water		18.0	320	Chemie (HOH)

Sequence modifications

A: 1 - 360 (UniProt: Q16539)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43514.5
Non-Polymers*	Number of molecules	1
	Total formula weight	318.7
All*	Total formula weight	43833.3

*Water molecules are not included.