MolNFT v1 · #109735 · protein
Crystal structure of human galectin-1 in complex with type 1 N- acetyllactosamine
4XBL: “Crystal structure of human galectin-1 in complex with type 1 N- acetyllactosamine”. X-ray diffraction, 2 ligands (NAG, GAL), 2 pockets (best druggability 0.44). MolNFT v1 #109735 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4XBL
- Type
- protein
- Length
- 266 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin-1
- UniProt
- P09382
- Ligands
- NAG, GAL
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Galectin-1 | protein | 133 | 0% helix, 64% strand | P09382 |
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
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.44 | 0.76 | 20 | empty |
| 2 | 82 | 0.43 | 0.80 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 581 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (artifact, oxidation).
Compared structures
- 4XBL · Crystal Structure of Human Galectin-1 in Complex with Type 1 N-acetyllactosamine · the same entry in another collection · chain A against A, TM-score 1.00
- P09382 · AlphaFold monomer V2.0 prediction for galectin-1 (P09382) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P09382
- Elsewhere: RCSB PDB 4XBL · PDBe 4XBL · UniProt P09382
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