Structure of PDB 8a0p Chain A Binding Site BS01

Receptor Information
>8a0p Chain A (length=216) Species: 3694 (Populus trichocarpa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADVKLHGSWVSPFNYRVIWALKLKGVEFEHIVEDLTNKSELLLKYNPVYK
KIPVLVHGGKPIAESLVILEYIEETWPENPLLPTDPYERAMARFWIQYGA
TKTAAFGALFRASGEELEKAAKEVVEVLRVLEEQGLGDKKFFGGDSINLV
DISFGLFTCWLEAIEEAAGVKVLEPSTLPRLHAWAQNFIEVPLIKENIPD
YDKLLLHMKGVREKMM
Ligand information
Ligand IDMRI
InChIInChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
InChIKeyYXOLAZRVSSWPPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
CACTVS 3.385Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
FormulaC15 H10 O7
Name2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one;
Morin
ChEMBLCHEMBL28626
DrugBankDB16770
ZINCZINC000003881558
PDB chain8a0p Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a0p Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Resolution1.686 Å
Binding residue
(original residue number in PDB)		S12 P13 F14 F107 L157 I165 H208 M209
Binding residue
(residue number reindexed from 1)		S11 P12 F13 F106 L156 I164 H207 M208
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006749 glutathione metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8a0p, PDBe:8a0p, PDBj:8a0p
PDBsum8a0p
PubMed36032685
UniProtD2X9R3

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