Structure of PDB 3ujq Chain D Binding Site BS01

Receptor Information
>3ujq Chain D (length=250) 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
PEWVSVGFSATTGLSKGYVETNEVLSWSFASKLSINKENKLAIFNLEGKA
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 D 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)		D108 G126 F150 N152 G236 L237 S238 Y241
Binding residue
(residue number reindexed from 1)		D85 G103 F127 N129 G213 L214 S215 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

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

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