Structure of PDB 6keo Chain BA Binding Site BS01
Receptor Information
>6keo Chain BA (length=219) Species:
7227
(Drosophila melanogaster) [
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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
6keo Chain BA Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
6keo
An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo.
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
P15 F39 D113 M117 V121 L208
Binding residue
(residue number reindexed from 1)
P12 F36 D110 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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6keo
,
PDBe:6keo
,
PDBj:6keo
PDBsum
6keo
PubMed
32241910
UniProt
Q7JYX0
|GSTEE_DROME Glutathione S-transferase E14 (Gene Name=GstE14)
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