Structure of PDB 5a4w Chain A Binding Site BS02

Receptor Information
>5a4w Chain A (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 IDQCT
InChIInChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
InChIKeyOXGUCUVFOIWWQJ-HQBVPOQASA-N
SMILES
SoftwareSMILES
CACTVS 3.370C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
ACDLabs 12.01O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)c(O)c4
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
CACTVS 3.370C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O
FormulaC21 H20 O11
Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside;
quercitrin
ChEMBLCHEMBL82242
DrugBank
ZINCZINC000004175638
PDB chain5a4w Chain A Residue 1214 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5a4w Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Q73 H77 S91 K92 I94 Y97 A101
Binding residue
(residue number reindexed from 1)		Q72 H76 S90 K91 I93 Y96 A100
Annotation score1
Binding affinityMOAD: Ka=0.16M^-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:5a4w, PDBe:5a4w, PDBj:5a4w
PDBsum5a4w
PubMed28174680
UniProtP46422|GSTF2_ARATH Glutathione S-transferase F2 (Gene Name=GSTF2)

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