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Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination
Analyse Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7UXW
- Type
- protein + DNA
- Length
- 763 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.57
- Source
- DNA molecule; Mus musculus
- Molecule
- Cyclic GMP-AMP synthase; Palindromic DNA18
- EC
- 2.7.7.86
- UniProt
- Q8C6L5
- Ligands
- ATP, GTP, MG, ZN
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · resolution 2.57 · 3 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclic GMP-AMP synthase (EC 2.7.7.86) | protein | 346 | 44% helix, 17% strand | Q8C6L5 |
| C | Cyclic GMP-AMP synthase (EC 2.7.7.86) | protein | 345 | 45% helix, 16% strand | Q8C6L5 |
| E, F, I, J | Palindromic DNA18 | dna | 18 | — | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, C
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, C
- MG · Magnesium ion · metal · 2 copies · chains A, C
- ZN · Zinc ion · metal · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 799 | 0.84 | 0.87 | 77 | empty |
| 2 | 106 | 0.75 | 0.96 | 17 | empty |
| 3 | 716 | 0.73 | 0.79 | 59 | ATP, GTP, MG |
| 4 | 673 | 0.73 | 0.79 | 47 | ATP, GTP, MG |
| 5 | 576 | 0.64 | 0.76 | 36 | empty |
Interfaces
11 interfaces between chains.
- A–C · 859 Ų buried · 16 hydrogen bonds · protein-protein
- I–J · 807 Ų buried · 65 hydrogen bonds · nucleic-nucleic
- E–F · 803 Ų buried · 66 hydrogen bonds · nucleic-nucleic
- C–I · 500 Ų buried · 5 hydrogen bonds · protein-nucleic
- A–E · 437 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
- Q8C6L5 · AlphaFold monomer V2.0 prediction for cyclic gmp-AMP synthase (Q8C6L5) · a predicted model of the same protein · chain C against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8C6L5
- Elsewhere: RCSB PDB 7UXW · PDBe 7UXW · UniProt Q8C6L5
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