6OVA

Crystal Structure of TYK2 with novel pyrrolidinone inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Non-receptor tyrosine-protein kinase TYK2	polymer	301	34844.9	1	UniProt (P29597) Pfam (PF07714) In PDB	Homo sapiens (Human)
2	A	6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide	non-polymer		390.4	1	Chemie (N9G)
3		water	water		18.0	50	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	390.4
All*	Total formula weight	35235.3

*Water molecules are not included.