Structure of PDB 8ojm Chain A Binding Site BS01

Receptor Information
>8ojm 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 IDVPQ
InChIInChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6-/m1/s1
InChIKeyUKWLGCFJAVEFPE-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.385NC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)C(=O)N)O)O)O)O
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C(=O)N)O)O)O)O
FormulaC7 H13 N O6
Name(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8ojm Chain A Residue 301 [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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PDB8ojm 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:8ojm, PDBe:8ojm, PDBj:8ojm
PDBsum8ojm
PubMed37658813
UniProtP17931|LEG3_HUMAN Galectin-3 (Gene Name=LGALS3)

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