MolNFT v1 · #24131 · protein
CGL2 in complex with thomsen-friedenreich antigen
1ULG · Galectin-2: “CGL2 in complex with thomsen-friedenreich antigen”. X-ray diffraction, 2 ligands (NGA, GAL), 3 pockets (best druggability 0.73). MolNFT v1 #24131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ULG
- Type
- protein
- Length
- 600 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin-2
- Ligands
- NGA, GAL
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Galectin-2 | protein | 150 | 0% helix, 48% strand | — |
Ligands and binding sites
- NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · 4 copies · chains A, B, C, D
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 553 | 0.73 | 0.81 | 63 | empty |
| 2 | 218 | 0.68 | 0.85 | 46 | empty |
| 3 | 251 | 0.63 | 0.81 | 36 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1012 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 961 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 762 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 756 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 153 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1ULG · CGL2 in complex with Thomsen-Friedenreich antigen · 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 1ULG · PDBe 1ULG
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