Research workbench
Crystal structure of the L74F/M78V/I80V/L114F mutant of leh
Analyse Crystal structure of the L74F/M78V/I80V/L114F 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
- 4XDW
- Type
- protein
- Length
- 1,141 residues
- Chains
- 8
- 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
- 17 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 145 | 32% helix, 37% strand | Q9ZAG3 |
| E | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 142 | 33% helix, 38% strand | Q9ZAG3 |
| G, H | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 141 | 33% helix, 38% strand | Q9ZAG3 |
| F | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 137 | 34% helix, 40% strand | Q9ZAG3 |
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 622 | 0.79 | 0.85 | 72 | empty |
| 2 | 591 | 0.79 | 0.86 | 67 | empty |
| 3 | 57 | 0.72 | 0.97 | 17 | empty |
| 4 | 196 | 0.68 | 0.85 | 31 | empty |
| 5 | 133 | 0.66 | 0.87 | 27 | empty |
Interfaces
12 interfaces between chains.
- A–B · 1574 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1570 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1462 Ų buried · 19 hydrogen bonds · protein-protein
- G–H · 1452 Ų buried · 14 hydrogen bonds · protein-protein
- A–F · 205 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4XDW · Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH · the same entry in another collection · chain D against D, TM-score 1.00
- Q9ZAG3 · AlphaFold monomer V2.0 prediction for limonene-1,2-epoxide hydrolase (Q9ZAG3) · a predicted model of the same protein · chain F against A, TM-score 0.94
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 4XDW · PDBe 4XDW · UniProt Q9ZAG3
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