MolNFT v1 · #117305 · protein
Hydroxynitrile lyase from the fern davallia tyermanii
5E46: “Hydroxynitrile lyase from the fern davallia tyermanii”. X-ray diffraction, 4 pockets (best druggability 0.70). MolNFT v1 #117305 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5E46
- Type
- protein
- Length
- 352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxynitrile lyase
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hydroxynitrile lyase | protein | 176 | 28% helix, 38% strand | — |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.70 | 0.85 | 47 | empty |
| 2 | 152 | 0.64 | 0.85 | 32 | empty |
| 3 | 140 | 0.63 | 0.85 | 31 | empty |
| 4 | 51 | 0.34 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1997 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 5E46 · Hydroxynitrile lyase from the fern Davallia tyermanii · 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
- Elsewhere: RCSB PDB 5E46 · PDBe 5E46
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