5MZ3

P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]

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	369	42445.4	1	UniProt (Q16539) Pfam (PF00069) In PDB	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	A	~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide	non-polymer		452.4	1	Chemie (8EN)
3		water	water		18.0	279	Chemie (HOH)

Sequence modifications

A: 1 - 360 (UniProt: Q16539)

PDB	External Database	Details
Met -8	-	initiating methionine
Ala -7	-	expression tag
Ser -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ser 162	Cys 162	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42445.4
Non-Polymers*	Number of molecules	1
	Total formula weight	452.4
All*	Total formula weight	42897.8

*Water molecules are not included.