7DF5: Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor

PDB ID: 7DF5Download
MMDB ID: 203413
PDB Deposition Date: 2020/11/6
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.08  Å
Source Organism:
Similar Structures:
Biological Unit for 7DF5: monomeric; determined by author and by software (PISA)
Molecular Components in 7DF5
Label Count Molecule
Protein (1 molecule)
1
Galectin-3
(Gene symbol: LGALS3)
Molecule annotation
Chemicals and Non-standard biopolymers (6 molecules)
1
1
MAGNESIUM IONMAGNESIUM ION
2
4
CHLORIDE IONCHLORIDE ION
3
1
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303