MolNFT v1 · #119991 · protein
Tl-gal with sialac
5GLU · Galectin: “Tl-gal with sialac”. X-ray diffraction, 3 ligands (GLC, GAL, SIA), 4 pockets (best druggability 0.61). MolNFT v1 #119991 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5GLU
- Type
- protein
- Length
- 556 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin
- Ligands
- GLC, GAL, SIA
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Galectin | protein | 278 | 1% helix, 54% strand | — |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 3 copies · chains A, B
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 174 | 0.61 | 0.84 | 36 | empty |
| 2 | 190 | 0.61 | 0.83 | 36 | empty |
| 3 | 80 | 0.32 | 0.74 | 22 | empty |
| 4 | 60 | 0.32 | 0.76 | 14 | empty |
Compared structures
- 5GLU · Tl-gal with SiaLac · 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 5GLU · PDBe 5GLU
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