6ANL

Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors

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	365	41714.5	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	TAK-715	non-polymer		399.5	1	Chemie (T75)
3		water	water		18.0	230	Chemie (HOH)

Sequence modifications

A: 1 - 360 (UniProt: Q16539)

PDB	External Database	Details
Gly -4	-	expression tag
Ala -3	-	expression tag
Met -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ser 119	Cys 119	engineered mutation
Ser 162	Cys 162	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41714.5
Non-Polymers*	Number of molecules	1
	Total formula weight	399.5
All*	Total formula weight	42114.0

*Water molecules are not included.