Research workbench
Crystal structure of the M32V/M78V/I80V/L114F mutant of leh
Analyse Crystal structure of the M32V/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
- 5CF1
- Type
- protein
- Length
- 1,113 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 0.78
Structure
x-ray diffraction · 5 distinct chains · 31% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 139 | 29% helix, 39% strand | Q9ZAG3 |
| F, H | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 137 | 31% helix, 39% strand | Q9ZAG3 |
| C | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 144 | 32% helix, 38% strand | Q9ZAG3 |
| D | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 141 | 33% helix, 38% strand | Q9ZAG3 |
| G | Limonene-1,2-epoxide hydrolase (EC 3.3.2.8) | protein | 137 | 30% helix, 39% strand | Q9ZAG3 |
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 534 | 0.78 | 0.86 | 68 | empty |
| 2 | 515 | 0.78 | 0.86 | 67 | empty |
| 3 | 51 | 0.69 | 0.96 | 17 | empty |
| 4 | 50 | 0.67 | 0.95 | 16 | empty |
| 5 | 133 | 0.59 | 0.84 | 27 | empty |
Interfaces
12 interfaces between chains.
- A–B · 1567 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1551 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 1458 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1426 Ų buried · 15 hydrogen bonds · protein-protein
- A–E · 209 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5CF1 · Crystal Structure of the M32V/M78V/I80V/L114F 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 5CF1 · PDBe 5CF1 · UniProt Q9ZAG3
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