Structure of PDB 4ndu Chain A Binding Site BS01

Receptor Information
>4ndu Chain A (length=94) Species: 64660 (Lyophyllum decastes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACWKANSCPGSAFESKDRLRSFALLYCRYNYKPPYGQGAFGYASAVSTHG
WETEAQCINTFEQIITSCHGQSNGGTLELNSGRLSLAFGNCEEL
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 chain4ndu Chain A Residue 101 [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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PDB4ndu Atomic-resolution structure of the alpha-galactosyl binding Lyophyllum decastes lectin reveals a new protein family found in both fungi and plants.
Resolution1.301 Å
Binding residue
(original residue number in PDB)		N6 F13 H69 G70 S72 N73
Binding residue
(residue number reindexed from 1)		N6 F13 H69 G70 S72 N73
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=2.74,Kd=1.8mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005534 galactose binding
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:4ndu, PDBe:4ndu, PDBj:4ndu
PDBsum4ndu
PubMed25504801
UniProtA7UNK4|AGBL_LYODE Alpha-galactosyl-binding lectin

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