MolNFT v1 · #33413 · protein
Structure of potato (solanum tuberosum) epoxide hydrolase I (STEH1)
2CJP: “Structure of potato (solanum tuberosum) epoxide hydrolase I (STEH1)”. X-ray diffraction, 1 ligand (VPR), 5 pockets (best druggability 0.82). MolNFT v1 #33413 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2CJP
- Type
- protein
- Length
- 639 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
- Ligands
- VPR
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epoxide hydrolase (EC 3.3.2.3) | protein | 320 | 45% helix, 16% strand | Q41415 |
| B | Epoxide hydrolase (EC 3.3.2.3) | protein | 319 | 45% helix, 16% strand | Q41415 |
Ligands and binding sites
- VPR · 2-propylpentanamide · ligand · chains B
- PG4 · Tetraethylene glycol · additive · chains A
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.82 | 0.87 | 68 | VPR, EDO |
| 2 | 442 | 0.78 | 0.86 | 43 | PG4 |
| 3 | 56 | 0.68 | 0.96 | 19 | empty |
| 4 | 430 | 0.64 | 0.78 | 58 | empty |
| 5 | 60 | 0.36 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 582 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2CJP · Structure of potato (Solanum tuberosum) epoxide hydrolase I (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 2CJP · PDBe 2CJP · UniProt Q41415
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