5F20

Structure of TYK2 with inhibitor 4: 3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Non-receptor tyrosine-protein kinase TYK2	polymer	301	34844.9	1	UniProt (P29597) Pfam (PF07714)	Homo sapiens (Human)
2	B (A)	3-azanyl-5-(2-methylphenyl)-7-(1-methylpyrazol-3-yl)-1~{H}-pyrazolo[4,3-c]pyridin-4-one	non-polymer		320.3	1	Chemie (5U4)
3	C (A)	water	water		18.0	31	Chemie (HOH)

Sequence modifications

A: 884 - 1176 (UniProt: P29597)

PDB	External Database	Details
Met 882	-	initiating methionine
Gly 883	-	expression tag
Ser 1016	Ala 1016	conflict
Asn 1023	Asp 1023	conflict
His 1177	-	expression tag
His 1178	-	expression tag
His 1179	-	expression tag
His 1180	-	expression tag
His 1181	-	expression tag
His 1182	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34844.9
Non-Polymers*	Number of molecules	1
	Total formula weight	320.3
All*	Total formula weight	35165.2

*Water molecules are not included.