Structure of PDB 3uk9 Chain F Binding Site BS01

Receptor Information
>3uk9 Chain F (length=247) 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
PEWVSVGFSATTGLSKGYVETNEVLSWSFASKLSINKLAIFNLEGKA
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 chain3uk9 Chain F Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uk9 Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Resolution3.11 Å
Binding residue
(original residue number in PDB)		G126 D148 F150 N152 D156
Binding residue
(residue number reindexed from 1)		G103 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:3uk9, PDBe:3uk9, PDBj:3uk9
PDBsum3uk9
PubMed23794513
UniProtB3EWQ9|LECA2_LABPU Lectin alpha chain

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