MolNFT v1 · #152898 · protein
Structure of the A214C/A250I mutant of an epoxide hydrolase from aspergillus usamii E001 (AUEH2) at 1.48 ångströms resolution
6IX2 · Microsomal epoxide hyddrolase: “Structure of the A214C/A250I mutant of an epoxide hydrolase from aspergillus usamii E001 (AUEH2) at 1.48…”. X-ray diffraction, 6 pockets (best druggability 0.78). MolNFT v1 #152898 on GenesisL1: 3D…
- PDB
- 6IX2
- Type
- protein
- Length
- 765 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microsomal epoxide hyddrolase
- EC
- 3.3.2.9
- UniProt
- T2B4K5
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Microsomal epoxide hyddrolase (EC 3.3.2.9) | protein | 382 | 44% helix, 15% strand | T2B4K5 |
| B | Microsomal epoxide hyddrolase (EC 3.3.2.9) | protein | 383 | 47% helix, 15% strand | T2B4K5 |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
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 | 747 | 0.78 | 0.82 | 66 | empty |
| 2 | 96 | 0.45 | 0.79 | 18 | empty |
| 3 | 82 | 0.44 | 0.80 | 19 | empty |
| 4 | 51 | 0.42 | 0.83 | 16 | empty |
| 5 | 71 | 0.36 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2648 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 6IX2 · Structure of the A214C/A250I mutant of an epoxide hydrolase from Aspergillus usamii E001… · 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 6IX2 · PDBe 6IX2 · UniProt T2B4K5
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