MolNFT v1 · #79422 · protein
Crystal structure of human galectin-1 in complex with methyl 2-O- acetyl-3-O-toluoyl-beta-D-talopyranoside
3T2T: “Crystal structure of human galectin-1 in complex with methyl 2-O- acetyl-3-O-toluoyl-beta-D-talopyranoside”. X-ray diffraction, 1 ligand (MQT), 2 pockets (best druggability 0.46). MolNFT v1 #79422 on GenesisL1: 3D structure, binding…
- PDB
- 3T2T
- 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
- MQT
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Galectin-1 | protein | 134 | 2% helix, 64% strand | P09382 |
Ligands and binding sites
- MQT · methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside · ligand · chains A
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 | 100 | 0.46 | 0.80 | 18 | empty |
| 2 | 67 | 0.42 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 627 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (artifact).
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 3T2T · PDBe 3T2T · UniProt P09382
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