9VT0

Crystal structure of STING CTD complex with small molecular inhibitor DDO-88101

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Stimulator of interferon genes protein	polymer	271	30332.2	1	UniProt (Q86WV6) Pfam (PF15009)	Homo sapiens (human)	hSTING,Endoplasmic reticulum interferon stimulator,ERIS,Mediator of IRF3 activation,hMITA,Transmembrane protein 173
2	B (A)	4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methoxy]-9~{H}-carbazole	non-polymer		356.5	1	Chemie (A1ETJ)
3	C (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA) PubChem (271)

Sequence modifications

A: 140 - 379 (UniProt: Q86WV6)

PDB	External Database	Details
His 109	-	expression tag
His 110	-	expression tag
His 111	-	expression tag
His 112	-	expression tag
His 113	-	expression tag
His 114	-	expression tag
Ser 115	-	expression tag
Ser 116	-	expression tag
Gly 117	-	expression tag
Leu 118	-	expression tag
Val 119	-	expression tag
Pro 120	-	expression tag
Arg 121	-	expression tag
Gly 122	-	expression tag
Ser 123	-	expression tag
His 124	-	expression tag
Met 125	-	expression tag
Ala 126	-	expression tag
Ser 127	-	expression tag
Met 128	-	expression tag
Thr 129	-	expression tag
Gly 130	-	expression tag
Gly 131	-	expression tag
Gln 132	-	expression tag
Gln 133	-	expression tag
Met 134	-	expression tag
Gly 135	-	expression tag
Arg 136	-	expression tag
Gly 137	-	expression tag
Ser 138	-	expression tag
Met 139	-	expression tag
Arg 232	His 232	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30332.2
Non-Polymers*	Number of molecules	2
	Total formula weight	396.5
All*	Total formula weight	30728.7

*Water molecules are not included.