5TQ7

Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin

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 JAK2	polymer	304	35892.7	2	UniProt (O60674) Pfam (PF07714)	Homo sapiens (Human)	Janus kinase 2,JAK-2
2	C, D (A, B)	{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}[(3R)-3-(phenylsulfonyl)pyrrolidin-1-yl]methanone	non-polymer		482.6	2	Chemie (7GT)
3	E, F (A, B)	water	water		18.0	218	Chemie (HOH)

Sequence modifications

A, B: 837 - 1132 (UniProt: O60674)

PDB	External Database	Details
Met 829	-	initiating methionine
Gly 830	-	expression tag
His 831	-	expression tag
His 832	-	expression tag
His 833	-	expression tag
His 834	-	expression tag
His 835	-	expression tag
His 836	-	expression tag
Ser 1073	Met 1073	engineered mutation
Thr 1076	Phe 1076	engineered mutation
Val 1126	Ile 1126	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71785.3
Non-Polymers*	Number of molecules	2
	Total formula weight	965.2
All*	Total formula weight	72750.5

*Water molecules are not included.