MolNFT v1 · #25817 · protein
X-ray crystal structure of C2S human galectin-1 complexed with galactose
1W6M: “X-ray crystal structure of C2S human galectin-1 complexed with galactose”. X-ray diffraction, 2 ligands (GAL, SO4), 2 pockets (best druggability 0.47). MolNFT v1 #25817 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1W6M
- 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
- GAL, SO4
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Galectin-1 | protein | 134 | 0% helix, 64% strand | P09382 |
Ligands and binding sites
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
- 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 | 77 | 0.47 | 0.82 | 20 | empty |
| 2 | 71 | 0.44 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 637 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 covalent, 1 modified (additive adduct, oxidation).
Compared structures
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 1W6M · PDBe 1W6M · UniProt P09382
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