Structure of PDB 3ujo Chain A Binding Site BS01

Receptor Information

>3ujo 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 ID

ADE

InChI

InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)

InChIKey

GFFGJBXGBJISGV-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04	n1c(c2ncnc2nc1)N

Formula

C5 H5 N5

Name

ADENINE

PDB chain

3ujo Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3ujo Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	L188 I189 T190 V199 S201 I212 L267
Binding residue (residue number reindexed from 1)	L165 I166 T167 V176 S178 I189 L244
Annotation score	4

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:3ujo, PDBe:3ujo, PDBj:3ujo
PDBsum	3ujo
PubMed	23794513
UniProt	B3EWQ9\|LECA2_LABPU Lectin alpha chain

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