MolNFT v2 · #107711 · protein
Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1
4UHB: “Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1”. X-ray diffraction at 1.8, 3 pockets (best druggability 0.81). MolNFT v2 #107711 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UHB
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.8
- Source
- SOLANUM TUBEROSUM
- Molecule
- Epoxide hydrolase
- EC
- 3.3.2.3
- UniProt
- Q41415
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · resolution 1.8 · 2 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epoxide hydrolase (EC 3.3.2.3) | protein | 321 | 45% helix, 16% strand | Q41415 |
| B | Epoxide hydrolase (EC 3.3.2.3) | protein | 319 | 45% helix, 16% strand | Q41415 |
Ligands and binding sites
- GOL · Glycerol · additive · 9 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.81 | 0.88 | 57 | GOL |
| 2 | 597 | 0.80 | 0.85 | 61 | GOL |
| 3 | 358 | 0.63 | 0.79 | 48 | empty |
Interfaces
1 interface between chains.
- A–B · 575 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4UHB · Laboratory evolved variant R-C1 of potato epoxide hydrolase STEH1 · 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 Q41415
- Elsewhere: RCSB PDB 4UHB · PDBe 4UHB · UniProt Q41415
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