9CUD

Human STING G230A/R293Q variant bound to diABZI-i

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, B (A, B)	Stimulator of interferon genes protein	polymer	210	24038.9	2	UniProt (Q86WV6) Pfam (PF15009)	Homo sapiens (human)	hSTING,Endoplasmic reticulum interferon stimulator,ERIS,Mediator of IRF3 activation,hMITA,Transmembrane protein 173
2	C (A)	(2E)-1-[(2E)-4-{(2E)-5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino]-3-methyl-2,3-dihydro-1H-1,3-benzimidazol-1-yl}-2,3-dimethylbut-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)imino]-7-[(3-methoxyphenyl)methoxy]-3-methyl-2,3-dihydro-1H-1,3-benzimidazole-5-carboxamide	non-polymer		869.0	1	Chemie (A1A4W)
3	D, E (A, B)	water	water		18.0	309	Chemie (HOH)

Sequence modifications

A, B: 155 - 341 (UniProt: Q86WV6)

PDB	External Database	Details
Met 132	-	initiating methionine
Gly 133	-	expression tag
Ser 134	-	expression tag
Ser 135	-	expression tag
His 136	-	expression tag
His 137	-	expression tag
His 138	-	expression tag
His 139	-	expression tag
His 140	-	expression tag
His 141	-	expression tag
Ser 142	-	expression tag
Ser 143	-	expression tag
Gly 144	-	expression tag
Glu 145	-	expression tag
Thr 146	-	expression tag
Val 147	-	expression tag
Arg 148	-	expression tag
Phe 149	-	expression tag
Gln 150	-	expression tag
Gly 151	-	expression tag
His 152	-	expression tag
Met 153	-	expression tag
Ser 154	-	expression tag
Ala 230	Gly 230	variant
Arg 232	His 232	conflict
Gln 293	Arg 293	variant

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	48077.8
Non-Polymers*	Number of molecules	1
	Total formula weight	869.0
All*	Total formula weight	48946.8

*Water molecules are not included.