Structure of PDB 4ddn Chain B Binding Site BS01

Receptor Information
>4ddn Chain B (length=154) Species: 4120 (Ipomoea batatas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALQLAAHSDARSGPVGSNGGQFWSFRPVRPLNKIVLSFSGSPDQTLNLI
SITFSSNPTDIITVGGVGPEPLTYTETVNIDGDIIEISGMIANYKGYNVI
RSIKFTTNKKEYGPYGANAGTPFNIKIPDGNKIVGFFGNSGWYVDAIGAY
YTAK
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 chain4ddn Chain B Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ddn Ipomoelin, a jacalin-related lectin with a compact tetrameric association and versatile carbohydrate binding properties regulated by its N terminus.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G20 G21 Y97 G141 W142 Y143 D145
Binding residue
(residue number reindexed from 1)		G20 G21 Y97 G141 W142 Y143 D145
Annotation score1
Binding affinityMOAD: Kd=244uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0002213 defense response to insect
GO:0009611 response to wounding
GO:0032874 positive regulation of stress-activated MAPK cascade
GO:0051289 protein homotetramerization

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Molecular Function
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Biological Process
External links
PDB RCSB:4ddn, PDBe:4ddn, PDBj:4ddn
PDBsum4ddn
PubMed22808208
UniProtP93193|IPO_IPOBA Ipomoelin (Gene Name=IPO)

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