MolNFT v1 · #107616 · protein
Laboratory evolved variant R-C1B1 of potato epoxide hydrolase STEH1
4UFN: “Laboratory evolved variant R-C1B1 of potato epoxide hydrolase STEH1”. X-ray diffraction, 3 pockets (best druggability 0.81). MolNFT v1 #107616 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UFN
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epoxide hydrolase
- EC
- 3.3.2.3
- UniProt
- Q41415
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Epoxide hydrolase (EC 3.3.2.3) | protein | 320 | 44% helix, 16% strand | Q41415 |
Ligands and binding sites
- DIO · 1,4-diethylene dioxide · 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 | 471 | 0.81 | 0.88 | 64 | DIO |
| 2 | 477 | 0.77 | 0.85 | 58 | DIO |
| 3 | 429 | 0.65 | 0.78 | 58 | empty |
Interfaces
1 interface between chains.
- A–B · 565 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4UFN · Laboratory evolved variant R-C1B1 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 4UFN · PDBe 4UFN · UniProt Q41415
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