MolNFT v1 · #74226 · protein
Structure of opda mutant Y257F
3OQE · Phosphotriesterase: “Structure of opda mutant Y257F”. X-ray diffraction, 1 ligand (CO), 3 pockets (best druggability 0.59). MolNFT v1 #74226 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OQE
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphotriesterase
- EC
- 3.1.8.1
- UniProt
- Q93LD7
- Ligands
- CO
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphotriesterase (EC 3.1.8.1) | protein | 329 | 51% helix, 15% strand | Q93LD7 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.59 | 0.80 | 30 | EDO |
| 2 | 58 | 0.39 | 0.80 | 16 | empty |
| 3 | 76 | 0.34 | 0.75 | 16 | empty |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 3OQE · Structure of OpdA mutant Y257F · 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 Q93LD7
- Elsewhere: RCSB PDB 3OQE · PDBe 3OQE · UniProt Q93LD7
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