7K7O

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-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	Non-receptor tyrosine-protein kinase TYK2	polymer	317	35499.2	2	UniProt (P29597) Pfam (PF07714) In PDB	Homo sapiens (Human)
2	A, B	6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide	non-polymer		419.4	2	Chemie (VZJ)
3		water	water		18.0	77	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70998.3
Non-Polymers*	Number of molecules	2
	Total formula weight	838.9
All*	Total formula weight	71837.2

*Water molecules are not included.