8ITX
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, B | Galectin-3 | polymer | 182 | 19665.3 | 2 | UniProt (P17931) Pfam (PF00337) In PDB | Homo sapiens (human) | Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein |
| 2 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 3 | A, B | 2-[(2S,3R,4S,5R,6R)-2-[2-[2,5-bis(chloranyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-5-oxidanyl-oxan-3-yl]oxyethanoic acid | non-polymer | 645.8 | 2 | Chemie (SXP) | |||
| 4 | A | piperazine | non-polymer | 86.1 | 1 | Chemie (PZE) | |||
| 5 | water | water | 18.0 | 254 | Chemie (HOH) |
Sequence modifications
A, B: 69 - 250 (UniProt: P17931)
| PDB | External Database | Details |
|---|---|---|
| His 103 | - | insertion |
| Met 104 | - | insertion |
| Gly 105 | - | insertion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 39330.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1448.7 | |
| All* | Total formula weight | 40779.4 |
