10PI

JAK1 kinase (JH1 domain) in complex with povorcitinib

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, B (A, B)	Tyrosine-protein kinase JAK1	polymer	297	34216.2	2	UniProt (P23458)	Homo sapiens (human)	Janus kinase 1,JAK-1
2	C, D, E, F, G... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	19	Chemie (EDO)
3	K, X (A, B)	4-{3-(cyanomethyl)-3-[(4M)-3',5'-dimethyl-1H,1'H-[4,4'-bipyrazol]-1-yl]azetidin-1-yl}-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide	non-polymer		507.5	2	Chemie (A1C68)
4	T (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS) PubChem (679)
5	Y, Z (A, B)	water	water		18.0	798	Chemie (HOH)

Sequence modifications

A, B: 866 - 1154 (UniProt: P23458)

PDB	External Database	Details
Ace 864	-	acetylation
Met 865	-	expression tag
His 1155	-	expression tag
His 1156	-	expression tag
His 1157	-	expression tag
His 1158	-	expression tag
His 1159	-	expression tag
His 1160	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68432.4
Non-Polymers*	Number of molecules	22
	Total formula weight	2272.3
All*	Total formula weight	70704.8

*Water molecules are not included.