9CT3

HsSTING with SR-717 and C53

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Stimulator of interferon genes protein	polymer	363	40246.0	4	UniProt (Q86WV6) Pfam (PF15009)	Homo sapiens (human)	hSTING,Endoplasmic reticulum interferon stimulator,ERIS,Mediator of IRF3 activation,hMITA,Transmembrane protein 173
2	E, G, H, J (A, B, C, D)	4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid	non-polymer		345.3	4	Chemie (V67)
3	F, I (A, C)	1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide	non-polymer		490.9	2	Chemie (9IM)

Sequence modifications

A, B, C, D: 1 - 344 (UniProt: Q86WV6)

PDB	External Database	Details
Gly 345	-	expression tag
Gly 346	-	expression tag
Ser 347	-	expression tag
Gly 348	-	expression tag
Gly 349	-	expression tag
Gly 350	-	expression tag
Ser 351	-	expression tag
Gly 352	-	expression tag
Gly 353	-	expression tag
Ser 354	-	expression tag
Ala 355	-	expression tag
Trp 356	-	expression tag
Ser 357	-	expression tag
His 358	-	expression tag
Pro 359	-	expression tag
Gln 360	-	expression tag
Phe 361	-	expression tag
Glu 362	-	expression tag
Lys 363	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	160984.0
Non-Polymers*	Number of molecules	6
	Total formula weight	2362.8
All*	Total formula weight	163346.8

*Water molecules are not included.