9IJN: STING LBD domain with an agonist DW18343

STING LBD domain with an agonist DW18343. Determined by X-ray diffraction at 1.81 Å resolution. Released 8 Jan 2025.

Method: X-ray diffraction
Resolution: 1.81 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,552
Mol. weight: 21.89 kDa
Ligands: A1D9I
Released: 8 Jan 2025

Explore 9IJN in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9IJN contains 12 α-helices and 7 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: 12 helices, 7 β-strands

Element	Residues	Length	Sheet
α-helix	155-163	9
α-helix	164-168	5
α-helix	169-184	16
α-helix	193-195	3
β-strand	198-203	6	1
α-helix	212-214	3
β-strand	219-224	6	1
α-helix	225-227	3
β-strand	228-232	5	2
β-strand	235-240	6	2
β-strand	243-249	7	1
β-strand	252-261	10	1
α-helix	264-273	10
α-helix	275-277	3
α-helix	281-283	3
α-helix	284-300	17
β-strand	309-314	6	1
α-helix	316-317	2
α-helix	325-334	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Stimulator of interferon genes protein	A	protein	188	Homo sapiens	Q86WV6 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9IJN_1 Stimulator of interferon genes protein (chains A)
NVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLS
MADPNIRFLDKLPQQTGDRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQ
YSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHL
RQEEKEEV

Ligands and cofactors

ID	Name	Formula	Copies
A1D9I	4-[4-(7-fluoranyl-1H-indol-3-yl)thiophen-2-yl]-4-oxidanylidene-butanoic acid	C16 H12 F N O3 S	1

Primary citation

Discovery of a non-nucleotide stimulator of interferon genes (STING) agonist with systemic antitumor effect. Wang, X., Zhan, Z., Wang, Z. et al. MedComm (2020) (2025) 6:e70001-e70001. DOI 10.1002/mco2.70001 · PubMed

Other PDB entries of the same protein (UniProt Q86WV6 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6MX3 1.36 Å, Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 1
4EMT 1.5 Å, Crystal Structure of human STING bound to c-di-GMP
6UKZ 1.52 Å, STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 6
9CUD 1.53 Å, Human STING G230A/R293Q variant bound to diABZI-i
6UKU 1.68 Å, STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3
7ZKU 1.7 Å, Crystal structure of human STING in complex with 3',3'-c-(2'F,2'dAMP-2'd<carba>GMP)
8STI 1.72 Å, human STING with agonist XMT-1616
6MX0 1.73 Å, Crystal structure of human STING apoprotein (G230A, H232R, R293Q)
6UKM 1.74 Å, STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
9VZG 1.74 Å, Harnessing Noncovalent Dimerization Enables an Orally Active STING Agonist for…
6UL0 1.76 Å, STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4
6XNP 1.77 Å, Crystal Structure of Human STING CTD complex with SR-717

Browse structure collections

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