› 6cta

X-ray diffraction
2.78Å resolution

Structure of the human cGAS-DNA complex with ATP

Released:
DOI: 10.2210/pdb6cta/pdb
PDB entry 6cta coloured by chain, front view.
PDB entry 6cta coloured by chain, side view.
PDB entry 6cta coloured by chain, top view.
Source organisms:
Primary publication:
Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Zhou W, Whiteley AT, de Oliveira Mann CC, Morehouse BR, Nowak RP, Fischer ES, Gray NS, Mekalanos JJ, Kranzusch PJ
Cell 174 300-311.e11 (2018)
PMID: 30007416

Function and Biology Details

Reaction catalysed: 
(1a) ATP + GTP = pppG-P(2'-5')A + diphosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-119693 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
Cyclic GMP-AMP synthase Chain: A
Molecule details ›
Chain: A
Length: 367 amino acids
Theoretical weight: 42.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8N884 (Residues: 157-522; Coverage: 70%)
Gene names: C6orf150, CGAS, MB21D1
Sequence domains:
Structure domains:
DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3') Chain: B
Molecule details ›
Chain: B
Length: 17 nucleotides
Theoretical weight: 5.16 KDa
Source organism: synthetic construct
Expression system: Not provided
DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3') Chain: C
Molecule details ›
Chain: C
Length: 17 nucleotides
Theoretical weight: 5.25 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand MG 2 x MG
Ligand ATP 1 x ATP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P6122
Unit cell:
a: 99.782Å b: 99.782Å c: 236.769Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.211 0.246
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

62 review citations

Molecular mechanisms and cellular functions of cGAS-STING signalling.
Hopfner et al. (2020)
61 more

8 mentions without citation

Interrupting cyclic dinucleotide-cGAS-STING axis with small molecules.
Sintim et al. (2019)
7 more