6UL0

STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain	polymer	300	34456.5	1	UniProt (Q12306) UniProt (A0A2R3XZB7) Pfam (PF00240) Pfam (PF15009) UniProt (by SIFTS) (Q86WV6)	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
2	B (A)	4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid	non-polymer		582.6	1	Chemie (QBJ)
3	C (A)	water	water		18.0	75	Chemie (HOH)

Sequence modifications

A: 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: 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	1
	Total formula weight	34456.5
Non-Polymers*	Number of molecules	1
	Total formula weight	582.6
All*	Total formula weight	35039.2

*Water molecules are not included.