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The crystal structure of M145A mutant of an epoxide hydrolase from bacillus megaterium
Analyse The crystal structure of M145A mutant of an epoxide hydrolase from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4INZ
- Type
- protein
- Length
- 570 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble epoxide hydrolase
- EC
- 3.2.2.10
- UniProt
- G9BEX6
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Soluble epoxide hydrolase (EC 3.2.2.10) | protein | 286 | 49% helix, 17% strand | G9BEX6 |
| B | Soluble epoxide hydrolase (EC 3.2.2.10) | protein | 284 | 49% helix, 16% strand | G9BEX6 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.73 | 0.97 | 14 | PEG |
| 2 | 73 | 0.72 | 0.96 | 17 | PEG |
| 3 | 256 | 0.62 | 0.81 | 33 | empty |
| 4 | 190 | 0.57 | 0.80 | 29 | empty |
| 5 | 197 | 0.55 | 0.79 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 592 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4INZ · The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium · 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 G9BEX6
- Elsewhere: RCSB PDB 4INZ · PDBe 4INZ · UniProt G9BEX6
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