3NYX

Non-phosphorylated TYK2 JH1 domain with Quinoline-Thiadiazole-Thiophene Inhibitor

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	35002.1	1	UniProt (P29597) Pfam (PF07714)	Homo sapiens (human)
2	B (A)	N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide	non-polymer		404.9	1	Chemie (TZ1)
3	C, D (A)	2,3-DIHYDROXY-1,4-DITHIOBUTANE	non-polymer		154.3	2	Chemie (DTT)
4	E (A)	water	water		18.0	56	Chemie (HOH)

Sequence modifications

A: 885 - 1176 (UniProt: P29597)

PDB	External Database	Details
Met 882	-	expression tag
Gly 883	-	expression tag
Ser 884	-	expression tag
Ser 1016	Ala 1016	conflict
Asn 1023	Asp 1023	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	35002.1
Non-Polymers*	Number of molecules	3
	Total formula weight	713.4
All*	Total formula weight	35715.5

*Water molecules are not included.