Structure of PDB 6h64 Chain B Binding Site BS02

Receptor Information
>6h64 Chain B (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 IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6h64 Chain H Residue 2 [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)		H158 R162 N174 W181 E184
Binding residue
(residue number reindexed from 1)		H45 R49 N61 W68 E71
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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