Structure of PDB 7db2 Chain B Binding Site BS01

Receptor Information
>7db2 Chain B (length=220) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKPILYYDERSPPVRSCLMLIKLLDIDVELRFVNLFKGEQFQKDFLALNP
QHSVPTLVHGDLVLTDSHAILIHLAEKFDEGGSLWPQEHAERMKVLNLLL
FECSFLFRRDSDFMSAIVRQGFANVDVAHHERKLTEAYIIMERYLENSDF
MAGPQLTLADLSIVTTLSTVNLMFPLSQFPRLRRWFTAMQQLDAYEANCS
GLEKLRQTMESVGSFQFPSS
Ligand information
Ligand IDDC1
InChIInChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3
InChIKeyBADXJIPKFRBFOT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1(CC(=O)CC(=O)C1)C
ACDLabs 10.04O=C1CC(=O)CC(C)(C)C1
CACTVS 3.341CC1(C)CC(=O)CC(=O)C1
FormulaC8 H12 O2
Name5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE;
2,2 DIMETHYL,1,6 CYCLOHEXA DIONE;
DIMEDONE
ChEMBL
DrugBank
ZINCZINC000100008249
PDB chain7db2 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7db2 Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
Resolution1.4 Å
Binding residue
(original residue number in PDB)		S14 S114
Binding residue
(residue number reindexed from 1)		S11 S111
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004364 glutathione transferase activity
GO:0004769 steroid delta-isomerase activity
GO:0016740 transferase activity
Biological Process
GO:0006694 steroid biosynthetic process
GO:0006749 glutathione metabolic process
GO:0009636 response to toxic substance
GO:0042632 cholesterol homeostasis
GO:0045456 ecdysteroid biosynthetic 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:7db2, PDBe:7db2, PDBj:7db2
PDBsum7db2
PubMed
UniProtQ7JYX0|GSTEE_DROME Glutathione S-transferase E14 (Gene Name=GstE14)

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