MolNFT v1 · #174415 · protein
Mcgas bound with 23-cgamp
7BUQ · Cyclic gmp-AMP synthase: “Mcgas bound with 23-cgamp”. X-ray diffraction, 2 ligands (1SY, ZN), 8 pockets (best druggability 0.80). MolNFT v1 #174415 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BUQ
- Type
- protein
- Length
- 723 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclic gmp-AMP synthase
- EC
- 2.7.7.86
- UniProt
- Q8C6L5
- Ligands
- 1SY, ZN
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclic gmp-AMP synthase (EC 2.7.7.86) | protein | 362 | 39% helix, 15% strand | Q8C6L5 |
| B | Cyclic gmp-AMP synthase (EC 2.7.7.86) | protein | 361 | 38% helix, 15% strand | Q8C6L5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1195 | 0.80 | 0.81 | 90 | empty |
| 2 | 794 | 0.76 | 0.80 | 65 | 1SY |
| 3 | 780 | 0.72 | 0.78 | 71 | 1SY |
| 4 | 201 | 0.65 | 0.84 | 37 | empty |
| 5 | 216 | 0.50 | 0.75 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1234 Ų buried · 16 hydrogen bonds · protein-protein
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 7BUQ · PDBe 7BUQ · UniProt Q8C6L5
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