MolNFT v1 · #93934 · protein
Serum paraoxonase-1 by directed evolution with the H115Q and H134Q mutations
4HHQ · Serum paraoxonase by directed evolution: “Serum paraoxonase-1 by directed evolution with the H115Q and H134Q mutations”. X-ray diffraction, 2 ligands (CA, BR), 2 pockets (best druggability 0.62). MolNFT v1 #93934 on GenesisL1: 3D…
- PDB
- 4HHQ
- Type
- protein
- Length
- 323 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, 49% 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 | 323 | 8% helix, 49% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- BR · Bromide ion · ion · 3 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 | 292 | 0.62 | 0.80 | 42 | CA |
| 2 | 281 | 0.56 | 0.77 | 26 | CA |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4HHQ · Serum paraoxonase-1 by directed evolution with the H115Q and H134Q mutations · 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 4HHQ · PDBe 4HHQ
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