Structure of PDB 8ojk Chain A Binding Site BS02

Receptor Information
>8ojk 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 IDVPL
InChIInChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1
InChIKeyXSQZVCXBAGPICS-KVTDHHQDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@H](O[C@H]1C(=O)N)CO)O)O
OpenEye OEToolkits 2.0.7C1C(C(C(OC1C(=O)N)CO)O)O
CACTVS 3.385NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1
CACTVS 3.385NC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
FormulaC7 H13 N O5
Name(2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8ojk Chain A Residue 302 [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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PDB8ojk 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:8ojk, PDBe:8ojk, PDBj:8ojk
PDBsum8ojk
PubMed37658813
UniProtP17931|LEG3_HUMAN Galectin-3 (Gene Name=LGALS3)

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