Structure of PDB 8oji Chain A Binding Site BS02

Receptor Information
>8oji 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 IDVPH
InChIInChI=1S/C8H14O6/c1-13-8(12)5-2-4(10)7(11)6(3-9)14-5/h4-7,9-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
InChIKeyGCROCZNWGKBWPY-DBRKOABJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
CACTVS 3.385COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1
OpenEye OEToolkits 2.0.7COC(=O)C1CC(C(C(O1)CO)O)O
OpenEye OEToolkits 2.0.7COC(=O)[C@H]1C[C@H]([C@H]([C@H](O1)CO)O)O
FormulaC8 H14 O6
Namemethyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate
ChEMBL
DrugBank
ZINC
PDB chain8oji 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8oji Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
Resolution1.75 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:8oji, PDBe:8oji, PDBj:8oji
PDBsum8oji
PubMed37658813
UniProtP17931|LEG3_HUMAN Galectin-3 (Gene Name=LGALS3)

[Back to BioLiP]