6O8C

Crystal structure of STING CTT in complex with TBK1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Serine/threonine-protein kinase TBK1	polymer	665	76359.1	2	UniProt (Q9WUN2) Pfam (PF00069) Pfam (PF18396) Pfam (PF18394) In PDB	Mus musculus (Mouse)	T2K,TANK-binding kinase 1
2	D, E	Stimulator of interferon genes protein	polymer	39	4213.8	2	UniProt (Q86WV6) In PDB	Homo sapiens (Human)	hSTING,Endoplasmic reticulum interferon stimulator,ERIS,Mediator of IRF3 activation,hMITA,Transmembrane protein 173
3	A, B	N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide	non-polymer		591.5	2	Chemie (BX7)

Sequence modifications

A, B: 2 - 657 (UniProt: Q9WUN2)

PDB	External Database	Details
Gly -7	-	expression tag
Ser -6	-	expression tag
Pro -5	-	expression tag
Gly -4	-	expression tag
Leu -3	-	expression tag
Asp -2	-	expression tag
Gly -1	-	expression tag
Ile 0	-	expression tag
Cys 1	-	expression tag
Ala 172	Ser 172	engineered mutation

D, E: 342 - 379 (UniProt: Q86WV6)

PDB	External Database	Details
Ser 341	-	expression tag
Trp 343	Val 343	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	161145.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1182.9
All*	Total formula weight	162328.6

*Water molecules are not included.