5WAL

Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model

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	302	34748.7	1	UniProt (P29597) Pfam (PF07714)	Homo sapiens (Human)
2	B (A)	N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide	non-polymer		347.2	1	Chemie (9ZS)
3	C (A)	water	water		18.0	92	Chemie (HOH)

Sequence modifications

A: 884 - 1176 (UniProt: P29597)

PDB	External Database	Details
Met 882	-	expression tag
Gly 883	-	expression tag
Ala 936	Cys 936	engineered mutation
Ala 969	Gln 969	engineered mutation
Ala 971	Glu 971	engineered mutation
Ala 972	Lys 972	engineered mutation
Asn 1023	Asp 1023	engineered mutation
Ala 1142	Cys 1142	engineered mutation
Arg 1177	-	expression tag
His 1178	-	expression tag
His 1179	-	expression tag
His 1180	-	expression tag
His 1181	-	expression tag
His 1182	-	expression tag
His 1183	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34748.7
Non-Polymers*	Number of molecules	1
	Total formula weight	347.2
All*	Total formula weight	35095.9

*Water molecules are not included.