Research workbench
Crystal structure of galectin-3 crd domian complexed with GM1 pentasaccharide
Analyse Crystal structure of galectin-3 crd domian complexed with GM1 pentasaccharide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AYC
- Type
- protein
- Length
- 270 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin-3
- UniProt
- P17931
- Ligands
- GAL, BGC, NGA, SIA, SO4
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Galectin-3 | protein | 135 | 2% helix, 59% strand | P17931 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains B
- BGC · beta-D-glucopyranose · sugar · chains B
- NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · chains B
- SIA · N-acetyl-alpha-neuraminic acid · sugar
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.27 | 0.75 | 13 | SO4 |
Interfaces
1 interface between chains.
- A–B · 427 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3AYC · Crystal structure of galectin-3 CRD domian complexed with GM1 pentasaccharide · 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 P17931
- Elsewhere: RCSB PDB 3AYC · PDBe 3AYC · UniProt P17931
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