6NZE

CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_5 AKA 4-[(2-CARBAMOYLPHEN YL)AMINO]-6-[(5-FLUOROPYRIDIN-2-YL)AMINO]-N-METHYLPYRIDINE -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	35499.2	2	UniProt (P29597) Pfam (PF07714)	Homo sapiens (Human)
2	C, F (A, B)	4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide	non-polymer		380.4	2	Chemie (L8Y)
3	D, E, G, H (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	I, J (A, B)	water	water		18.0	152	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	6
	Total formula weight	1145.0
All*	Total formula weight	72143.3

*Water molecules are not included.