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Receptor Information

>5a4w Chain F (length=204) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GIKVFGHPASIATRRVLIALHEKNLDFELVHVELKDGEHKKEPFLSRNPF
GQVPAFEDGDLKLFESRAITQYIAHRYENQGTNLLQTDSKNISQYAIMAI
GMQVEDHQFDPVASKLAFEQIFKSIYGLVAEEEAKLAKVLDVYEARLKEF
KYLAGETFTLTDLHHIPAIQYLLGTPTKKLFTERPRVNEWVAEITKRPAS
EKVQ

Ligand ID

QCT

InChI

InChI=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

InChIKey

OXGUCUVFOIWWQJ-HQBVPOQASA-N

SMILES

Software	SMILES
CACTVS 3.370	C[CH]1O[CH](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C[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 12.01	O=C2C(OC1OC(C(O)C(O)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)c(O)c4
OpenEye OEToolkits 1.7.6	CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O
CACTVS 3.370	C[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

Formula

C21 H20 O11

Name

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside;
quercitrin

PDB chain

5a4w Chain F Residue 1213 [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	5a4w Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
Resolution	2.25 Å
Binding residue (original residue number in PDB)	Q73 H77 S91 K92 I94 Y97 A101
Binding residue (residue number reindexed from 1)	Q71 H75 S89 K90 I92 Y95 A99
Annotation score	1
Binding affinity	MOAD: Ka=0.16M^-1

Enzyme Commision number

2.5.1.18: glutathione transferase.

	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

PDB	RCSB:5a4w, PDBe:5a4w, PDBj:5a4w
PDBsum	5a4w
PubMed	28174680
UniProt	P46422\|GSTF2_ARATH Glutathione S-transferase F2 (Gene Name=GSTF2)

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Structure of PDB 5a4w Chain F Binding Site BS02