Structure of PDB 5odu Chain C Binding Site BS01

Receptor Information
>5odu Chain C (length=121) Species: 29488 (Photorhabdus luminescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDWSGSVPANAENGKSTGLILKQGDTISVVAHGWVKYGRDNVEWAAPDGP
VPNNPQPSSIATLVAKIANKKFAIGNGVLHKTVPVDGELILLFNDVPGTF
GDNSGEFQVEVIIESRYSPLK
Ligand information
Ligand IDAMG
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
InChIKeyHOVAGTYPODGVJG-PZRMXXKTSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
FormulaC7 H14 O6
Namemethyl alpha-D-galactopyranoside;
ALPHA-METHYL-D-GALACTOSIDE;
methyl alpha-D-galactoside;
methyl D-galactoside;
methyl galactoside
ChEMBLCHEMBL467773
DrugBankDB02100
ZINCZINC000004262102
PDB chain5odu Chain C Residue 201 [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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PDB5odu Photorhabdus luminescens lectin A (PllA): A new probe for detecting alpha-galactoside-terminating glycoconjugates.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		Y38 E44 Q57 D96 T100 D103
Binding residue
(residue number reindexed from 1)		Y37 E43 Q56 D95 T99 D102
Annotation score1
Binding affinityMOAD: ic50=0.52mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5odu, PDBe:5odu, PDBj:5odu
PDBsum5odu
PubMed28972138
UniProtQ7N561|PLLA_PHOLL Lectin A (Gene Name=pllA)

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