Research workbench
Structure of an epoxide hydrolase from aspergillus usamii E001 (AUEH2) at 1.51 ångströms resolution
Analyse Structure of an epoxide hydrolase from aspergillus usamii E001 (AUEH2) at 1.51… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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