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Structure of PDB 6kep Chain BA Binding Site BS02

Receptor Information >6kep Chain BA (length=219) 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 GLEKLRQTMESVGSFQFPS

Ligand information Ligand ID EST InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 InChIKey VOXZDWNPVJITMN-ZBRFXRBCSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 CC12CCC3c4ccc(cc4CCC3C1CCC2O)O OpenEye OEToolkits 1.5.0 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O CACTVS 3.341 C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O CACTVS 3.341 C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O ACDLabs 10.04 Oc1cc4c(cc1)C3CCC2(C(CCC2O)C3CC4)C Formula C18 H24 O2 Name ESTRADIOL ChEMBL CHEMBL135 DrugBank DB00783 ZINC ZINC000013520815 PDB chain 6kep Chain BA Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6kep An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo. Resolution 1.55 Å Binding residue (original residue number in PDB) P15 F39 D113 S114 M117 V121 L208 Binding residue (residue number reindexed from 1) P12 F36 D110 S111 M114 V118 L205 Annotation score 1

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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