6NZR

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide

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)	Non-receptor tyrosine-protein kinase TYK2	polymer	317	35487.1	2	UniProt (P29597) Pfam (PF07714)	Homo sapiens (Human)
2	C, E (A, B)	N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide	non-polymer		398.4	2	Chemie (LAJ)
3	D, F (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	G, H (A, B)	water	water		18.0	89	Chemie (HOH)

Sequence modifications

A, B: 575 - 869 (UniProt: P29597)

PDB	External Database	Details
Met 553	-	expression tag
Gly 554	-	expression tag
Ser 555	-	expression tag
Ser 556	-	expression tag
His 557	-	expression tag
His 558	-	expression tag
His 559	-	expression tag
His 560	-	expression tag
His 561	-	expression tag
His 562	-	expression tag
Ser 563	-	expression tag
Ser 564	-	expression tag
Gly 565	-	expression tag
Glu 566	-	expression tag
Thr 567	-	expression tag
Val 568	-	expression tag
Arg 569	-	expression tag
Phe 570	-	expression tag
Gln 571	-	expression tag
Gly 572	-	expression tag
His 573	-	expression tag
Met 574	-	expression tag
Ser 610	Val 610	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70974.2
Non-Polymers*	Number of molecules	4
	Total formula weight	989.0
All*	Total formula weight	71963.2

*Water molecules are not included.