Structure of PDB 5a4u Chain E Binding Site BS01

Receptor Information
>5a4u Chain E (length=211) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGIKVFGHPASIATRRVLIALHEKNLDFELVHVELKDGEHKKEPFLSRNP
FGQVPAFEDGDLKLFESRAITQYIAHRYENQGTNLLQTDSKNISQYAIMA
IGMQVEDHQFDPVASKLAFEQIFKSIYGLTTDEAVVAEEEAKLAKVLDVY
EARLKEFKYLAGETFTLTDLHHIPAIQYLLGTPTKKLFTERPRVNEWVAE
ITKRPASEKVQ
Ligand information
Ligand IDI3A
InChIInChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChIKeyOLNJUISKUQQNIM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C=O
CACTVS 3.341O=Cc1c[nH]c2ccccc12
ACDLabs 10.04O=Cc2c1ccccc1nc2
FormulaC9 H7 N O
Name1H-INDOLE-3-CARBALDEHYDE
ChEMBLCHEMBL147741
DrugBank
ZINCZINC000000087959
PDB chain5a4u Chain E Residue 1213 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a4u Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I99 G103 Y151 R154 L161
Binding residue
(residue number reindexed from 1)		I98 G102 Y150 R153 L160
Annotation score1
Binding affinityMOAD: Ka=0.09M^-1
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0004601 peroxidase activity
GO:0016740 transferase activity
GO:0019904 protein domain specific binding
GO:0043295 glutathione binding
GO:1901149 salicylic acid binding
GO:2001147 camalexin binding
GO:2001227 quercitrin binding
Biological Process
GO:0002239 response to oomycetes
GO:0006952 defense response
GO:0009407 toxin catabolic process
GO:0009409 response to cold
GO:0009636 response to toxic substance
GO:0009734 auxin-activated signaling pathway
GO:0010043 response to zinc ion
GO:0046686 response to cadmium ion
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0000325 plant-type vacuole
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0009506 plasmodesma
GO:0009507 chloroplast
GO:0009570 chloroplast stroma
GO:0043231 intracellular membrane-bounded organelle
GO:0048046 apoplast

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5a4u, PDBe:5a4u, PDBj:5a4u
PDBsum5a4u
PubMed28174680
UniProtP46422|GSTF2_ARATH Glutathione S-transferase F2 (Gene Name=GSTF2)

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