MolNFT v1 · #152900 · protein
Structure of an epoxide hydrolase from aspergillus usamii E001 (AUEH2) at 1.51 ångströms resolution
6IX4 · Microsomal epoxide hydrolase: “Structure of an epoxide hydrolase from aspergillus usamii E001 (AUEH2) at 1.51 ångströms resolution”. X-ray diffraction, 3 ligands (NA, SO4, CL), 6 pockets (best druggability 0.81). MolNFT v1 #152900…
- PDB
- 6IX4
- Type
- protein
- Length
- 781 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microsomal epoxide hydrolase
- EC
- 3.3.2.9
- UniProt
- T2B4K5
- Ligands
- NA, SO4, CL
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Microsomal epoxide hydrolase (EC 3.3.2.9) | protein | 386 | 46% helix, 15% strand | T2B4K5 |
| B | Microsomal epoxide hydrolase (EC 3.3.2.9) | protein | 395 | 45% helix, 15% strand | T2B4K5 |
Ligands and binding sites
- NA · Sodium ion · metal · chains B
- SO4 · Sulfate ion · ion · chains B
- CL · Chloride ion · ion · chains B
- ACT · Acetate ion · additive · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.81 | 0.82 | 76 | empty |
| 2 | 107 | 0.48 | 0.80 | 18 | empty |
| 3 | 100 | 0.45 | 0.79 | 18 | empty |
| 4 | 50 | 0.42 | 0.83 | 15 | empty |
| 5 | 85 | 0.39 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2652 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 6IX4 · Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms… · 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 T2B4K5
- Elsewhere: RCSB PDB 6IX4 · PDBe 6IX4 · UniProt T2B4K5
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