MolNFT v1 · #158680 · protein
Alpha-L-fucosidase alfc from lactobacillus casei in complex with alpha-L-fucose product
6O1A: “Alpha-L-fucosidase alfc from lactobacillus casei in complex with alpha-L-fucose product”. X-ray diffraction, 1 ligand (FUL), 13 pockets (best druggability 0.72). MolNFT v1 #158680 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6O1A
- Type
- protein
- Length
- 1,291 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alfc
- UniProt
- K0NB39
- Ligands
- FUL
- Pockets
- 13 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alfc | protein | 327 | 39% helix, 15% strand | K0NB39 |
| B | Alfc | protein | 318 | 38% helix, 15% strand | K0NB39 |
| C | Alfc | protein | 325 | 39% helix, 14% strand | K0NB39 |
| D | Alfc | protein | 321 | 39% helix, 15% strand | K0NB39 |
Ligands and binding sites
- FUL · beta-L-fucopyranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 62 | 0.72 | 0.98 | 20 | empty |
| 2 | 234 | 0.57 | 0.79 | 33 | FUL |
| 3 | 151 | 0.55 | 0.81 | 26 | FUL |
| 4 | 229 | 0.54 | 0.77 | 34 | FUL |
| 5 | 195 | 0.54 | 0.78 | 25 | FUL |
Interfaces
3 interfaces between chains.
- B–D · 1289 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1287 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 365 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6O1A · Alpha-L-fucosidase AlfC from Lactobacillus casei in complex with alpha-L-fucose product · 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 K0NB39
- Elsewhere: RCSB PDB 6O1A · PDBe 6O1A · UniProt K0NB39
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