Research workbench
Structure of ternary complex of cgas with dsdna and bound ATP
Analyse Structure of ternary complex of cgas with dsdna and bound ATP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4K97
- Type
- protein + DNA
- Length
- 380 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclic gmp-AMP synthase; DNA-F; DNA-R
- EC
- 2.7.7.-
- UniProt
- Q8C6L5
- Ligands
- ATP, MG, ZN
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclic gmp-AMP synthase (EC 2.7.7.-) | protein | 351 | 40% helix, 18% strand | Q8C6L5 |
| D | DNA-F | dna | 15 | — | — |
| E | DNA-R | dna | 14 | — | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 839 | 0.74 | 0.78 | 66 | MG, ATP |
| 2 | 798 | 0.72 | 0.78 | 57 | empty |
| 3 | 445 | 0.61 | 0.76 | 30 | empty |
Interfaces
3 interfaces between chains.
- D–E · 637 Ų buried · 63 hydrogen bonds · nucleic-nucleic
- A–D · 502 Ų buried · 6 hydrogen bonds · protein-nucleic
- A–E · 300 Ų buried · 9 hydrogen bonds · protein-nucleic
Compared structures
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 4K97 · PDBe 4K97 · UniProt Q8C6L5
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