Research workbench
Crystal structure of the I80Y/L114V/I116V mutant of leh
Analyse Crystal structure of the I80Y/L114V/I116V mutant of leh in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5CF2
- Type
- protein
- Length
- 584 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Limonene-1,2-epoxide hydrolase
- EC
- 3.3.2.8
- UniProt
- Q9ZAG3
- Pockets
- 12 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 145 | 32% helix, 36% strand | Q9ZAG3 |
| B, D | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 147 | 33% helix, 37% strand | Q9ZAG3 |
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.73 | 0.98 | 18 | empty |
| 2 | 61 | 0.70 | 0.96 | 17 | empty |
| 3 | 52 | 0.68 | 0.96 | 16 | empty |
| 4 | 184 | 0.62 | 0.83 | 39 | empty |
| 5 | 136 | 0.45 | 0.77 | 24 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1676 Ų buried · 37 hydrogen bonds · protein-protein
- A–B · 1643 Ų buried · 38 hydrogen bonds · protein-protein
- B–D · 475 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 156 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5CF2 · Crystal Structure of the I80Y/L114V/I116V mutant of LEH · 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 Q9ZAG3
- Elsewhere: RCSB PDB 5CF2 · PDBe 5CF2 · UniProt Q9ZAG3
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