MolNFT v1 · #66562 · protein
Organophosphorus hydrolase from deinococcus radiodurans with cacodylate bound
3HTW · Organophosphate hydrolase: “Organophosphorus hydrolase from deinococcus radiodurans with cacodylate bound”. X-ray diffraction, 2 ligands (MG, CO), 1 pocket (best druggability 0.57). MolNFT v1 #66562 on GenesisL1: 3D structure…
- PDB
- 3HTW
- Type
- protein
- Length
- 322 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Organophosphate hydrolase
- UniProt
- Q9RVU2
- Ligands
- MG, CO
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Organophosphate hydrolase | protein | 322 | 47% helix, 16% strand | Q9RVU2 |
Ligands and binding sites
- MG · Magnesium ion · metal · 7 copies · chains A
- CO · Cobalt (II) ion · metal · 2 copies · chains A
- CAC · Cacodylate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.57 | 0.80 | 35 | CAC |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 3HTW · Organophosphorus hydrolase from Deinococcus radiodurans with cacodylate bound · 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 3HTW · PDBe 3HTW · UniProt Q9RVU2
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