Structure of PDB 1toq Chain E Binding Site BS04

Receptor Information
>1toq Chain E (length=133) Species: 291940 (Artocarpus hirsutus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKAFDDGAFTGIREINLSYNKETAIGDFQVVYDLNGSPYVGQNHSSFISG
FTPVKISLDFPSEYITEVSGYTGNVSGYVVVRSLTFKTNKKTYGPYGVTS
GTPFNLPIENGLIVGFKGSIGYWMDYFSMYLSL
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 chain1toq Chain E Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1toq Two orthorhombic crystal structures of a galactose-specific lectin from Artocarpus hirsuta in complex with methyl-alpha-D-galactose.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G1 Y78 Y122 W123 D125
Binding residue
(residue number reindexed from 1)		G1 Y78 Y122 W123 D125
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0019862 IgA binding
GO:0030246 carbohydrate binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Cellular Component
External links
PDB RCSB:1toq, PDBe:1toq, PDBj:1toq
PDBsum1toq
PubMed15272163
UniProtP18670|LECA_ARTIN Agglutinin alpha chain

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