Research workbench
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Analyse Human soluble epoxide hydrolase in complex with a synthetic inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ANS
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epoxide hydrolase 2
- EC
- 3.3.2.10
- UniProt
- P34913
- Ligands
- S38
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Epoxide hydrolase 2 (EC 3.3.2.10) | protein | 314 | 42% helix, 16% strand | P34913 |
Ligands and binding sites
- S38 · 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide · ligand · 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 | 663 | 0.84 | 0.88 | 51 | S38 |
| 2 | 467 | 0.77 | 0.85 | 31 | S38 |
| 3 | 172 | 0.71 | 0.89 | 27 | S38 |
Interfaces
1 interface between chains.
- A–B · 768 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3ANS · Human soluble epoxide hydrolase in complex with a synthetic inhibitor · the same entry in another collection · chain B against B, TM-score 1.00
- P34913 · AlphaFold monomer V2.0 prediction for bifunctional epoxide hydrolase 2 (P34913) · a predicted model of the same protein · 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 P34913
- Elsewhere: RCSB PDB 3ANS · PDBe 3ANS · UniProt P34913
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