MolNFT v1 · #139652 · protein
The overall structure of VREH2
5XM6 · Epoxide hydrolase: “The overall structure of VREH2”. X-ray diffraction, 8 pockets (best druggability 0.78). MolNFT v1 #139652 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5XM6
- Type
- protein
- Length
- 954 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epoxide hydrolase
- EC
- 3.3.2.-
- UniProt
- A0A0G3F3K2
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Epoxide hydrolase (EC 3.3.2.-) | protein | 318 | 43% helix, 17% strand | A0A0G3F3K2 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 430 | 0.78 | 0.87 | 49 | empty |
| 2 | 432 | 0.78 | 0.86 | 44 | empty |
| 3 | 385 | 0.76 | 0.85 | 43 | empty |
| 4 | 69 | 0.72 | 0.97 | 20 | empty |
| 5 | 327 | 0.55 | 0.75 | 47 | empty |
Interfaces
3 interfaces between chains.
- A–B · 500 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 169 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 135 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5XM6 · the overall structure of VrEH2 · 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 A0A0G3F3K2
- Elsewhere: RCSB PDB 5XM6 · PDBe 5XM6 · UniProt A0A0G3F3K2
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