9NYT

Crystal structure of Human p38 alpha MAPK in Complex with MW01-32-154JS

This is a non-PDB format compatible entry.

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	384	44087.1	1	UniProt (Q16539) Pfam (PF00069)	Homo sapiens (human)	MAP kinase 14,MAPK 14,Cytokine suppressive anti-inflammatory drug-binding protein,CSAID-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, D (A)	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE	non-polymer		239.2	2	Chemie (GG5)
3	C (A)	(3P)-3-(naphthalen-2-yl)-6-(piperazin-1-yl)-4-(pyridin-4-yl)pyridazine	non-polymer		367.4	1	Chemie (A1B7S)
4	E (A)	ETHANEPEROXOIC ACID	non-polymer		76.1	1	Chemie (F50)
5	F (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	G (A)	water	water		18.0	92	Chemie (HOH)

Sequence modifications

A: 1 - 360 (UniProt: Q16539)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44087.1
Non-Polymers*	Number of molecules	5
	Total formula weight	987.4
All*	Total formula weight	45074.5

*Water molecules are not included.