9CUA | pdb_00009cua

Human STING G230A/R293Q variant bound to cGAMP

PDB DOI: https://doi.org/10.2210/pdb9CUA/pdb

Classification: MEMBRANE PROTEIN
Organism(s): Homo sapiens
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2024-07-26 Released: 2025-06-18
Deposition Author(s): Sack, J.S., Critton, D.A.
Funding Organization(s): Not funded

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.22 Å
R-Value Free:
0.231 (Depositor), 0.245 (DCC)
R-Value Work:
0.200 (Depositor), 0.207 (DCC)
R-Value Observed:
0.203 (Depositor)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.0 of the entry. See complete history.

Literature

Orthosteric STING inhibition elucidates molecular correction of SAVI STING

Xie, T., Ruzanov, M., Critton, D.A., Marselis, L., Naglich, J., Sack, J.S., Zhang, P., Xie, C., Tredup, J., Stine, L.B., Messier, C., Caceres-Cortes, J., Mueller, L., Dyckman, A.J., Newitt, J.A., Wilson, S.C.

To be published.

Macromolecule Content

Total Structure Weight: 48.75 kDa
Atom Count: 2,717
Modeled Residue Count: 340
Deposited Residue Count: 420
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Stimulator of interferon genes protein	A, B	210	Homo sapiens	Mutation(s): 2 Gene Names: STING1, ERIS, MITA, STING, TMEM173
UniProt & NIH Common Fund Data Resources
Find proteins for Q86WV6 (Homo sapiens) Explore Q86WV6 Go to UniProtKB: Q86WV6
PHAROS: Q86WV6 GTEx: ENSG00000184584
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q86WV6
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
1SY (Subject of Investigation/LOI) Query on 1SY Download Ideal Coordinates CCD File SDF format, chain C [auth A] MOL2 format, chain C [auth A] mmCIF format, chain C [auth A]	C [auth A]	cGAMP C₂₀ H₂₄ N₁₀ O₁₃ P₂ XRILCFTWUCUKJR-INFSMZHSSA-N		Interactions Focus chain C [auth A] Interactions & Density Focus chain C [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.22 Å
R-Value Free: 0.231 (Depositor), 0.245 (DCC)
R-Value Work: 0.200 (Depositor), 0.207 (DCC)
R-Value Observed: 0.203 (Depositor)

Space Group: P 4₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 109.81	α = 90
b = 109.81	β = 90
c = 35.36	γ = 90

Software Package:

Software Name	Purpose
XDS	data reduction
Aimless	data scaling
BUSTER	refinement
PHASER	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History & Funding Information

Deposition Data

Released Date: 2025-06-18

Deposition Author(s):

Funding Organization	Location	Grant Number
Not funded		--

Revision History (Full details and data files)

Version 1.0: 2025-06-18
Type: Initial release
Version 2.0: 2025-06-25
Changes: Atomic model

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.