MolNFT v2 · #214214 · protein
Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant
8JGT: “Crystal structure of Deinococcus radiodurans exopolyphosphatase E114A mutant”. X-ray diffraction at 2.2, 2 ligands (MG, SO4), 5 pockets (best druggability 0.74). MolNFT v2 #214214 on GenesisL1: 3D structure, binding sites and…
- PDB
- 8JGT
- Type
- protein
- Length
- 487 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539
- Molecule
- Exopolyphosphatase
- UniProt
- Q9RYW9
- Ligands
- MG, SO4
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · resolution 2.2 · 1 distinct chain · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exopolyphosphatase | protein | 487 | 49% helix, 17% strand | Q9RYW9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 277 | 0.74 | 0.87 | 50 | SO4 |
| 2 | 303 | 0.60 | 0.78 | 43 | empty |
| 3 | 107 | 0.50 | 0.81 | 28 | empty |
| 4 | 83 | 0.42 | 0.80 | 14 | empty |
| 5 | 61 | 0.27 | 0.73 | 11 | empty |
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 Q9RYW9
- Elsewhere: RCSB PDB 8JGT · PDBe 8JGT · UniProt Q9RYW9
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