Structure of PDB 5odu Chain E Binding Site BS01

Receptor Information
>5odu Chain E (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 E 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 I61 D96 T100 D103
Binding residue
(residue number reindexed from 1)		Y37 E43 Q56 I60 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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