MolNFT v1 · #25820 · protein
X-ray crystal structure of C2S human galectin-1 complexed with N- acetyl-lactosamine
1W6P: “X-ray crystal structure of C2S human galectin-1 complexed with N- acetyl-lactosamine”. X-ray diffraction, 3 ligands (NDG, GAL, SO4), 2 pockets (best druggability 0.49). MolNFT v1 #25820 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1W6P
- Type
- protein
- Length
- 268 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin-1
- UniProt
- P09382
- Ligands
- NDG, GAL, SO4
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Galectin-1 | protein | 134 | 0% helix, 63% strand | P09382 |
Ligands and binding sites
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
- BME · Beta-mercaptoethanol · additive · 5 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 | 79 | 0.49 | 0.83 | 17 | empty |
| 2 | 76 | 0.45 | 0.81 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 663 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 covalent, 1 glycan, 1 modified (additive adduct, glycosylation, oxidation).
Compared structures
- 1W6P · X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH N- Acetyl-LACTOSAMINE · 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 0.98
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 1W6P · PDBe 1W6P · UniProt P09382
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