Structure of PDB 6h64 Chain C Binding Site BS01

Receptor Information
>6h64 Chain C (length=137) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIVPYNLPLPGGVVPKMLITILGTVKPNANRIALDFQRGNDVAFHFNPRF
NENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAV
NDAHLLQYNHRVKKLNEISKLGISGDIDLTSTSYTMI
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain6h64 Chain I Residue 1 [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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PDB6h64 CRD SAT Generated by pCARGHO: A New Efficient Lectin-Based Affinity Tag Method for Safe, Simple, and Low-Cost Protein Purification.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R162 E184 R186
Binding residue
(residue number reindexed from 1)		R49 E71 R73
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:6h64, PDBe:6h64, PDBj:6h64
PDBsum6h64
PubMed30298550
UniProtP17931|LEG3_HUMAN Galectin-3 (Gene Name=LGALS3)

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