MolNFT v1 · #57378 · protein
Benzalacetone synthase (I207L/L208F)
3A5S: “Benzalacetone synthase (I207L/L208F)”. X-ray diffraction, 4 pockets (best druggability 0.75). MolNFT v1 #57378 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3A5S
- Type
- protein
- Length
- 751 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Benzalacetone synthase
- UniProt
- Q94FV7
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Benzalacetone synthase | protein | 376 | 42% helix, 23% strand | Q94FV7 |
| B | Benzalacetone synthase | protein | 375 | 41% helix, 23% strand | Q94FV7 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 309 | 0.75 | 0.86 | 46 | empty |
| 2 | 254 | 0.74 | 0.87 | 49 | empty |
| 3 | 67 | 0.34 | 0.77 | 19 | empty |
| 4 | 60 | 0.32 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2396 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
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 Q94FV7
- Elsewhere: RCSB PDB 3A5S · PDBe 3A5S · UniProt Q94FV7
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