Structure of PDB 3ujq Chain D Binding Site BS02

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 IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3ujq Chain D Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D148 F150 N152 D156
Binding residue
(residue number reindexed from 1)		D125 F127 N129 D133
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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