Structure of PDB 1uh1 Chain C Binding Site BS03

Receptor Information
>1uh1 Chain C (length=133) Species: 3490 (Artocarpus integer) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKAFDDGAFTGIREINLSYNKETAIGDFQVVYDLNGSPYVGQNHKSFITG
FTPVKISLDFPSEYIMEVSGYTGNVSGYVVVRSLTFKTNKKTYGPYGVTS
GTPFNLPIENGLIVGFKGSIGYWLDYFSMYLSL
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 chain1uh1 Chain I Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uh1 Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
Resolution2.8 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
Binding affinityPDBbind-CN: -logKd/Ki=5.48,Kd=3.3uM
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:1uh1, PDBe:1uh1, PDBj:1uh1
PDBsum1uh1
PubMed12946359
UniProtP18670|LECA_ARTIN Agglutinin alpha chain

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