Structure of PDB 7ebt Chain B Binding Site BS02

Receptor Information
>7ebt Chain B (length=222) 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
YYQQANQVGVDKLKERLHAVMK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7ebt 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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PDB7ebt Molecular action of larvicidal flavonoids on ecdysteroidogenic glutathione S-transferase Noppera-bo in Aedes aegypti.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		E46 D47
Binding residue
(residue number reindexed from 1)		E49 D50
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
External links