Structure of PDB 7dax Chain B Binding Site BS02

Receptor Information
>7dax Chain B (length=218) 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
GLEKLRQTMESVGSFQFP
Ligand information
Ligand IDH1X
InChIInChI=1S/C18H21NO4S/c1-12-9-10-13(18(2,3)4)11-16(12)24(22,23)19-15-8-6-5-7-14(15)17(20)21/h5-11,19H,1-4H3,(H,20,21)
InChIKeyFUWMRGQUYIVRDW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C
CACTVS 3.385Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)=O)C(C)(C)C
FormulaC18 H21 N O4 S
Name2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid
ChEMBL
DrugBank
ZINCZINC000003243185
PDB chain7dax Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dax Non-steroidal inhibitors of Drosophila melanogaster steroidogenic glutathione S -transferase Noppera-bo
Resolution1.70001 Å
Binding residue
(original residue number in PDB)		R13 S14 S114 M117 S118
Binding residue
(residue number reindexed from 1)		R10 S11 S111 M114 S115
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:7dax, PDBe:7dax, PDBj:7dax
PDBsum7dax
PubMed
UniProtQ7JYX0|GSTEE_DROME Glutathione S-transferase E14 (Gene Name=GstE14)

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