MolNFT v1 · #113537 · protein
Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. tomsk-sample-native
5AIF: “Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic…”. X-ray diffraction, 1 pocket (best druggability 0.75). MolNFT v1 #113537 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5AIF
- Type
- protein
- Length
- 248 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Limonene-1,2-epoxide hydrolase
- EC
- 3.3.2.8
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 124 | 31% helix, 45% strand | — |
Ligands and binding sites
- IMD · Imidazole · additive · 4 copies · chains A, B
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 | 81 | 0.75 | 0.96 | 17 | IMD |
Interfaces
1 interface between chains.
- A–B · 990 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5AIF · Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot… · 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 5AIF · PDBe 5AIF
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