8ITZ
Crystal structure of human Galectin-3 in complex with small molecule inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Galectin-3 | polymer | 179 | 19348.0 | 1 | UniProt (P17931) Pfam (PF00337) | Homo sapiens (human) | Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen |
| 2 | B (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 3 | C (A) | 2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid | non-polymer | 580.4 | 1 | Chemie (QB2) | |||
| 4 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E (A) | water | water | 18.0 | 201 | Chemie (HOH) |
Sequence modifications
A: 72 - 250 (UniProt: P17931)
| PDB | External Database | Details |
|---|---|---|
| His 106 | Pro 106 | engineered mutation |
| Met 107 | Tyr 107 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19348.0 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 638.8 | |
| All* | Total formula weight | 19986.8 |
