MolNFT v1 · #65340 · protein
R228A mutation in organophosphorus hydrolase from deinococcus radiodurans
3GU9: “R228A mutation in organophosphorus hydrolase from deinococcus radiodurans”. X-ray diffraction, 1 ligand (CO), 2 pockets (best druggability 0.65). MolNFT v1 #65340 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3GU9
- Type
- protein
- Length
- 331 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Organophosphorus hydrolase
- UniProt
- Q9RVU2
- Ligands
- CO
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Organophosphorus hydrolase | protein | 331 | 46% helix, 15% strand | Q9RVU2 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.65 | 0.82 | 34 | empty |
| 2 | 53 | 0.25 | 0.72 | 16 | empty |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 3GU9 · R228A mutation in organophosphorus hydrolase from Deinococcus radiodurans · 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
- Every structure of UniProt Q9RVU2
- Elsewhere: RCSB PDB 3GU9 · PDBe 3GU9 · UniProt Q9RVU2
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