6UL0: STING C-terminal Domain

STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4. Determined by X-ray diffraction at 1.76 Å resolution. Released 19 Aug 2020.

Method: X-ray diffraction
Resolution: 1.76 Å
Organisms: Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Homo sapiens
Chains: 1
Atoms: 1,555
Mol. weight: 35.04 kDa
Ligands: QBJ
Released: 19 Aug 2020

Explore 6UL0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6UL0 contains 9 α-helices and 5 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 5 β-strands

Element	Residues	Length	Sheet
α-helix	155-163	9
α-helix	164-168	5
α-helix	169-185	17
α-helix	190-192	3
α-helix	194-195	2
β-strand	198-203	6	1
β-strand	219-232	14	1
β-strand	235-249	15	1
β-strand	252-261	10	1
α-helix	264-273	10
α-helix	275-277	3
α-helix	281-301	21
β-strand	309-314	6	1
α-helix	325-334	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain	A	protein	300	Saccharomyces cerevisiae (strain ATCC 204508 / S288c), Homo sapiens	Q12306 (AlphaFold model), Q86WV6 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6UL0_1 fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain (chains A)
MAHHHHHHGSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAF
AKRQGKEMDSLTFLYDGIEIQADQTPEDLDMEDNDIIEAHREQIGGENLYFQSVAHGLAW
SYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRF
LDKLPQQTADRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSR
EDRLEQAKLFCQTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEV

Ligands and cofactors

ID	Name	Formula	Copies
QBJ	4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1…	C29 H26 O9 S2	1

Primary citation

An orally available non-nucleotide STING agonist with antitumor activity. Pan, B.S., Perera, S.A., Piesvaux, J.A. et al. Science (2020) 369. DOI 10.1126/science.aba6098 · PubMed

Other PDB entries of the same protein (UniProt Q12306 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3UF8 1.5 Å, Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with a G95A…
6UKZ 1.52 Å, STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6
3UQA 1.55 Å, Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface…
3VAW 1.55 Å, Crystal structure of a smt fusion peptidyl-prolyl cis-trans isomerase with surface…
5YCA 1.57 Å, Crystal structure of inner membrane protein Bqt4 in complex with LEM2
7P7W 1.57 Å, N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with…
1EUV 1.6 Å, X-ray structure of the C-terminal ULP1 protease domain in complex with SMT3, the yeast…
6UKU 1.68 Å, STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3
7P7I 1.7 Å, Native structure of N-acetylglucosamine kinase from Plesiomonas shigelloides
6UKM 1.74 Å, STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
4G50 1.75 Å, Crystal structure of a SMT fusion Peptidyl-prolyl cis-trans isomerase with surface…
7P9L 1.75 Å, N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with…

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