Structure of PDB 7ebv Chain B Binding Site BS02

Receptor Information
>7ebv Chain B (length=221) Species: 7159 (Aedes aegypti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHMMSKPVLYYDDISPPVRGVLLTVAALGIKDQVELKLVRLFEREHLLED
FVKLNPLHAVPVLKHDDLVLTDSHAIIMYLCDIFGQDGDFSLKDPKQRAR
VHNRLCFNNAVLFQRESIVMRGLINRSIVTLEDHHLKPVQEAYDCLEVYL
TNSKFVACDQLTVADFPIVACMSTVGMVCPLSTSRWPKTAAWFETMKQLP
YYQQANQVGVDKLKERLHAVM
Ligand information
Ligand IDLU2
InChIInChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
InChIKeyIQPNAANSBPBGFQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3
OpenEye OEToolkits 1.7.6c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
ACDLabs 12.01O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3O
FormulaC15 H10 O6
Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one;
Luteolin
ChEMBLCHEMBL151
DrugBankDB15584
ZINCZINC000018185774
PDB chain7ebv Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ebv Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		P13 L38 F39 E113 S114 M117
Binding residue
(residue number reindexed from 1)		P16 L41 F42 E116 S117 M120
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
External links