MolNFT v1 · #98626 · protein + DNA
Structure of mouse cgas bound to 18 bp DNA
4LEY · Cyclic gmp-AMP synthase: “Structure of mouse cgas bound to 18 bp DNA”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.85). MolNFT v1 #98626 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LEY
- Type
- protein + DNA
- Length
- 1,580 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclic gmp-AMP synthase; 18 bp dsdna
- EC
- 2.7.7.-
- UniProt
- Q8C6L5
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Cyclic gmp-AMP synthase (EC 2.7.7.-) | protein | 359 | 39% helix, 18% strand | Q8C6L5 |
| E, F, G, H, I, J, K, L | 18 bp dsdna | dna | 18 | — | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1025 | 0.85 | 0.86 | 95 | empty |
| 2 | 1005 | 0.84 | 0.86 | 81 | empty |
| 3 | 101 | 0.74 | 0.96 | 17 | empty |
| 4 | 753 | 0.73 | 0.79 | 57 | empty |
| 5 | 751 | 0.72 | 0.78 | 57 | empty |
Interfaces
25 interfaces between chains.
- B–D · 857 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 847 Ų buried · 17 hydrogen bonds · protein-protein
- G–H · 838 Ų buried · 95 hydrogen bonds · nucleic-nucleic
- I–J · 835 Ų buried · 95 hydrogen bonds · nucleic-nucleic
- K–L · 827 Ų buried · 92 hydrogen bonds · nucleic-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 0.98
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 4LEY · PDBe 4LEY · UniProt Q8C6L5
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