Structure of PDB 8ojo Chain A Binding Site BS02

Receptor Information
>8ojo Chain A (length=138) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPR
FNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVA
VNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
Ligand information
Ligand IDAH2
InChIInChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyMPCAJMNYNOGXPB-KVTDHHQDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH]1OC[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
OpenEye OEToolkits 2.0.6C1C(C(C(C(O1)CO)O)O)O
CACTVS 3.385OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H12 O5
Name1-deoxy-alpha-D-mannopyranose;
1,5-Anhydromannitol;
1-deoxy-alpha-D-mannose;
1-deoxy-D-mannose;
1-deoxy-mannose
ChEMBLCHEMBL3800290
DrugBank
ZINCZINC000005851505
PDB chain8ojo Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ojo Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R162 E184
Binding residue
(residue number reindexed from 1)		R50 E72
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:8ojo, PDBe:8ojo, PDBj:8ojo
PDBsum8ojo
PubMed37658813
UniProtP17931|LEG3_HUMAN Galectin-3 (Gene Name=LGALS3)

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