MolNFT v1 · #83369 · protein
Crystal structure of agrocybe cylindracea galectin with blood type a antigen tetraose
3WG3 · Galactoside-binding lectin: “Crystal structure of agrocybe cylindracea galectin with blood type a antigen tetraose”. X-ray diffraction, 4 ligands (NAG, GAL, FUC), 1 pocket (best druggability 0.53). MolNFT v1 #83369 on GenesisL1: 3D…
- PDB
- 3WG3
- Type
- protein
- Length
- 318 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactoside-binding lectin
- Ligands
- NAG, GAL, FUC, A2G
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Galactoside-binding lectin | protein | 163 | 2% helix, 53% strand | — |
| B | Galactoside-binding lectin | protein | 155 | 3% helix, 56% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.53 | 0.76 | 38 | PEG |
Interfaces
1 interface between chains.
- A–B · 1132 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3WG3 · Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose · 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 3WG3 · PDBe 3WG3
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