MolNFT v1 · #176215 · protein
Human galectin-3 crd in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor
7DF5: “Human galectin-3 crd in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor”. X-ray diffraction, 3 ligands (H5O, MG, CL). MolNFT v1 #176215 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7DF5
- Type
- protein
- Length
- 138 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galectin-3
- UniProt
- P17931
- Ligands
- H5O, MG, CL
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 62% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Galectin-3 | protein | 138 | 2% helix, 62% strand | P17931 |
Ligands and binding sites
- H5O · (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 · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7DF5 · Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic… · the same entry in another collection · chain A against A, TM-score 1.00
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 P17931
- Elsewhere: RCSB PDB 7DF5 · PDBe 7DF5 · UniProt P17931
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