Research workbench
Computational design of constitutively active cgas
Analyse Computational design of constitutively active cgas in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LZ3
- Type
- protein
- Length
- 698 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclic gmp-AMP synthase
- Ligands
- ZN
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclic gmp-AMP synthase | protein | 359 | 43% helix, 18% strand | — |
| B | Cyclic gmp-AMP synthase | protein | 339 | 45% helix, 17% strand | — |
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 | 918 | 0.82 | 0.83 | 73 | empty |
| 2 | 925 | 0.77 | 0.80 | 72 | empty |
| 3 | 264 | 0.64 | 0.81 | 21 | empty |
| 4 | 135 | 0.56 | 0.82 | 19 | empty |
| 5 | 126 | 0.46 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 599 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7LZ3 · Computational design of constitutively active cGAS · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7LZ3 · PDBe 7LZ3
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