› 6nfg

X-ray diffraction
2.76Å resolution

CYCLIC GMP-AMP SYNTHASE in complex with compound 16 inhibitor: 7-hydroxy-N-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Released:
DOI: 10.2210/pdb6nfg/pdb
PDB entry 6nfg coloured by chain, front view.
PDB entry 6nfg coloured by chain, side view.
PDB entry 6nfg coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Hall J

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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 362 amino acids
Theoretical weight: 42.4 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8N884 (Residues: 161-522; Coverage: 69%)
Gene names: C6orf150, CGAS, MB21D1
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ZN 2 x ZN
Ligand KKP 2 x KKP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 217.148Å b: 45.602Å c: 86.82Å
α: 90° β: 105.69° γ: 90°
R-values:
R R work R free
0.185 0.182 0.244
Expression system: Escherichia coli

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