6UKV

STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain	polymer	300	34456.5	2	UniProt (Q12306) UniProt (A0A2R3XZB7) Pfam (PF00240) Pfam (PF15009) UniProt (by SIFTS) (Q86WV6) In PDB	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
2	A, B	4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid	non-polymer		600.7	2	Chemie (QB1)
3		water	water		18.0	289	Chemie (HOH)

Sequence modifications

A, B: 51 - 147 (UniProt: Q12306)

PDB	External Database	Details
Met 42	-	initiating methionine
Ala 43	-	expression tag
His 44	-	expression tag
His 45	-	expression tag
His 46	-	expression tag
His 47	-	expression tag
His 48	-	expression tag
His 49	-	expression tag
Gly 50	-	expression tag
Thr 113	Arg 64	conflict
Glu 120	Arg 71	conflict
Glu 148	-	linker
Asn 149	-	linker
Leu 150	-	linker
Tyr 151	-	linker
Phe 152	-	linker
Gln 153	-	linker
Ser 154	-	linker

A, B: 155 - 341 (UniProt: A0A2R3XZB7)

PDB	External Database	Details
Ala 230	Gly 230	engineered mutation
Gln 293	Arg 293	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68913.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1201.3
All*	Total formula weight	70114.4

*Water molecules are not included.