Structure of PDB 5a5k Chain V Binding Site BS01

Receptor Information
>5a5k Chain V (length=210) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIKVFGHPASIATRRVLIALHEKNLDFELVHVELKDGEHKKEPFLSRNPF
GQVPAFEDGDLKLFESRAITQYIAHRYENQGTNLLQTDSKNISQYAIMAI
GMQVEDHQFDPVASKLAFEQIFKSIYGLTTDEAVVAEEEAKLAKVLDVYE
ARLKEFKYLAGETFTLTDLHHIPAIQYLLGTPTKKLFTERPRVNEWVAEI
TKRPASEKVQ
Ligand information
Ligand ID7WB
InChIInChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+
InChIKeyIUBODNCSFJZWGR-PKNBQFBNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=C3NC=CS3)C=N2
CACTVS 3.385N1C=CSC1=C2C=Nc3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2
CACTVS 3.385N\1C=CSC\1=C/2C=Nc3ccccc/23
FormulaC11 H8 N2 S1
Name(2Z)-2-indol-3-ylidene-3H-1,3-thiazole;
Camalexin
ChEMBL
DrugBank
ZINCZINC000584905391
PDB chain5a5k Chain V Residue 1213 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5a5k Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		I99 I102 G103 R154
Binding residue
(residue number reindexed from 1)		I97 I100 G101 R152
Annotation score1
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:5a5k, PDBe:5a5k, PDBj:5a5k
PDBsum5a5k
PubMed28174680
UniProtP46422|GSTF2_ARATH Glutathione S-transferase F2 (Gene Name=GSTF2)

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