Structure of PDB 3ujq Chain A Binding Site BS01

Receptor Information
>3ujq Chain A (length=253) Species: 35936 (Lablab purpureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANLISFTFKKFNETNLILQRDATVSSGKLRITKAAENGVPTAGSLGRAFY
STPIQIWDNTTGTVASWATSFTFNLQAPNAASPADGLAFALVPVGSQPKD
KGGFLGLFDSKNYASSNQTVAVEFDTFYNGGWDPTERHIGIDVNSIKSIK
TTSWDFANGENAEVLITYDSSTNLLVASLVHPSQKTSFIVSERVDLTSVL
PEWVSVGFSATTGLSKGYVETNEVLSWSFASKLSINKEDEENKLAIFNLE
GKA
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain3ujq Chain A Residue 301 [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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PDB3ujq Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		G125 G126 F150 Y241
Binding residue
(residue number reindexed from 1)		G102 G103 F127 Y218
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0050832 defense response to fungus

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Molecular Function
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Biological Process
External links
PDB RCSB:3ujq, PDBe:3ujq, PDBj:3ujq
PDBsum3ujq
PubMed23794513
UniProtB3EWQ9|LECA2_LABPU Lectin alpha chain

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