Research workbench
Crystal structure of fucose binding lectin from aspergillus fumigatus (afl) - apo-form
Analyse Crystal structure of fucose binding lectin from aspergillus fumigatus (afl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UOU
- Type
- protein
- Length
- 1,256 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucose-specific lectin flea
- UniProt
- Q4WW81
- Pockets
- 8 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Fucose-specific lectin flea | protein | 314 | 4% helix, 53% strand | Q4WW81 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1092 | 0.89 | 0.91 | 131 | PEG |
| 2 | 1090 | 0.89 | 0.91 | 137 | PEG |
| 3 | 684 | 0.66 | 0.75 | 57 | empty |
| 4 | 384 | 0.59 | 0.76 | 48 | empty |
| 5 | 66 | 0.38 | 0.79 | 22 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1182 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 1157 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 168 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 116 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 4UOU · Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) - apo-form · the same entry in another collection · chain A against A, TM-score 1.00
- Q4WW81 · AlphaFold monomer V2.0 prediction for fucose-specific lectin (Q4WW81) · a predicted model of the same protein · 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 Q4WW81
- Elsewhere: RCSB PDB 4UOU · PDBe 4UOU · UniProt Q4WW81
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