› 6o47

X-ray diffraction
2.2Å resolution

human cGAS core domain (K427E/K428E) bound with RU-521

Released:
DOI: 10.2210/pdb6o47/pdb
Model geometry
Data not analysed
Fit model/data
Data not analysed
PDB entry 6o47 coloured by chain, front view.
PDB entry 6o47 coloured by chain, side view.
PDB entry 6o47 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Human cGAS catalytic domain has an additional DNA-binding interface that enhances enzymatic activity and liquid-phase condensation.
Xie W, Lama L, Adura C, Tomita D, Glickman JF, Tuschl T, Patel DJ
Proc Natl Acad Sci U S A 116 11946-11955 (2019)
PMID: 31142647

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185433 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclic GMP-AMP synthase Chain: A
Molecule details ›
Chain: A
Length: 372 amino acids
Theoretical weight: 43.49 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8N884 (Residues: 152-522; Coverage: 71%)
Gene names: C6orf150, CGAS, MB21D1
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand CIT 2 x CIT
Ligand ZN 1 x ZN
Ligand LLS 1 x LLS
Ligand AEV 1 x AEV
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P64
Unit cell:
a: 116.157Å b: 116.157Å c: 59.951Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.185 0.182 0.221
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

45 review citations

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

2 mentions without citation

Regulation and inhibition of the DNA sensor cGAS.
Hertzog et al. (2020)
1 more

PDB-REDO

The sliders below show the change in model quality between original PDB entry and the PDB-REDO entry

Model Geometry
 
 
Data not available
DNA/RNA Geometry
 
 
Data not available
Fit model/data
 
 
Data not available
PDB-REDO