MolNFT v1 · #150125 · protein
Aleuria aurantia lectin aal N224Q mutant in complex with FUCALPHA1- 6GLCNAC
6GKE · Fucose-specific lectin: “Aleuria aurantia lectin aal N224Q mutant in complex with FUCALPHA1- 6GLCNAC”. X-ray diffraction, 2 ligands (FUC, NDG), 2 pockets (best druggability 0.76). MolNFT v1 #150125 on GenesisL1: 3D structure…
- PDB
- 6GKE
- Type
- protein
- Length
- 309 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fucose-specific lectin
- UniProt
- P18891
- Ligands
- FUC, NDG
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fucose-specific lectin | protein | 309 | 2% helix, 53% strand | P18891 |
Ligands and binding sites
- FUC · alpha-L-fucopyranose · sugar · 5 copies · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 515 | 0.76 | 0.83 | 65 | GOL |
| 2 | 58 | 0.31 | 0.76 | 20 | FUC |
Compared structures
- 6GKE · Aleuria aurantia lectin AAL N224Q mutant in complex with Fucalpha1-6GlcNAc · the same entry in another collection · chain A against A, TM-score 1.00
- P18891 · AlphaFold monomer V2.0 prediction for fucose-specific lectin (P18891) · 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 P18891
- Elsewhere: RCSB PDB 6GKE · PDBe 6GKE · UniProt P18891
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