MolNFT v1 · #93932 · protein
Serum paraoxonase-1 by directed evolution with the H115W mutation
4HHO · Serum paraoxonase by directed evolution: “Serum paraoxonase-1 by directed evolution with the H115W mutation”. X-ray diffraction, 2 ligands (CA, BR), 2 pockets (best druggability 0.62). MolNFT v1 #93932 on GenesisL1: 3D structure…
- PDB
- 4HHO
- Type
- protein
- Length
- 326 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serum paraoxonase by directed evolution
- EC
- 3.1.1.2, 3.1.8.1, 3.1.1.25
- Ligands
- CA, BR
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serum paraoxonase by directed evolution (EC 3.1.1.2, 3.1.8.1, 3.1.1.25) | protein | 326 | 8% helix, 48% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- BR · Bromide ion · ion · 2 copies · chains A
- LMT · Dodecyl-beta-D-maltoside · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 298 | 0.62 | 0.79 | 37 | empty |
| 2 | 271 | 0.59 | 0.78 | 28 | CA |
Compared structures
- 4HHO · Serum paraoxonase-1 by directed evolution with the H115W mutation · 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 4HHO · PDBe 4HHO
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