6O8B

Crystal structure of STING CTD 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 (D, E)	Stimulator of interferon genes protein	polymer	226	25676.0	2	UniProt (Q86WV6) Pfam (PF15009)	Homo sapiens (Human)	hSTING,Endoplasmic reticulum interferon stimulator,ERIS,Mediator of IRF3 activation,hMITA,Transmembrane protein 173
2	C, D (A, B)	Serine/threonine-protein kinase TBK1	polymer	665	76463.3	2	UniProt (Q9UHD2) Pfam (PF00069) Pfam (PF18396) Pfam (PF18394)	Homo sapiens (Human)	NF-kappa-B-activating kinase,T2K,TANK-binding kinase 1
3	E, F (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

D, E: 155 - 379 (UniProt: Q86WV6)

PDB	External Database	Details
Ser 154	-	expression tag
Arg 232	His 232	variant
Glu 376	Thr 376	engineered mutation
Met 378	Phe 378	engineered mutation
Trp 379	Ser 379	engineered mutation

A, B: 2 - 657 (UniProt: Q9UHD2)

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
Asn 135	Asp 135	engineered mutation
Glu 172	Ser 172	engineered mutation
Asp 388	Asn 388	variant
Gln 570	Lys 570	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	204278.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1182.9
All*	Total formula weight	205461.6

*Water molecules are not included.