6G3C

Crystal Structure of JAK2-V617F pseudokinase domain in complex with Compound 2

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	polymer	272	31169.8	2	UniProt (Q506Q0) Pfam (PF07714) UniProt (by SIFTS) (O60674)	Homo sapiens (Human)
2	C, L (A, B)	2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7,7-trimethyl-8-(3-methylbutyl)pteridin-6-one	non-polymer		405.4	2	Chemie (EKT)
3	D, E, F, G, H... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
4	Q, R (A, B)	water	water		18.0	462	Chemie (HOH)

Sequence modifications

A, B: 537 - 808 (UniProt: Q506Q0)

PDB	External Database	Details
Ala 659	Trp 659	engineered mutation
Ala 777	Trp 777	engineered mutation
His 794	Phe 794	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62339.6
Non-Polymers*	Number of molecules	14
	Total formula weight	1555.7
All*	Total formula weight	63895.3

*Water molecules are not included.