Structure of PDB 7xke Chain R Binding Site BS01

Receptor Information
>7xke Chain R (length=253) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALTFITYIGCGLSSIFLSVTLVTYIAFEKIRRDYPSKILIQLCAALLLL
NLIFLLDSWIALYNTRGFCIAVAVFLHYFLLVSFTWMGLEAFHMYLALVK
VFNTYIRKYILKFCIVGWGIPAVVVSIVLTISPDNYGIPNGTPDDFCWIN
SNVVFYITVVGYFCVIFLLNVSMFIVVLVQLCRIKKKKQLGIQDLRSIAG
LTFLLGITWGFAFFAWGVNVTFMYLFAIFNTLQGFFIFIFYCAAKENVRK
QWR
Ligand information
Ligand IDAND
InChIInChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
InChIKeyFMGSKLZLMKYGDP-USOAJAOKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
ACDLabs 10.04O=C3CCC4C1C(C2(C(=CC1)CC(O)CC2)C)CCC34C
CACTVS 3.341C[C]12CC[CH]3[CH](CC=C4C[CH](O)CC[C]34C)[CH]1CCC2=O
OpenEye OEToolkits 1.5.0C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C
OpenEye OEToolkits 1.5.0CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)O)C
FormulaC19 H28 O2
Name3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
ChEMBLCHEMBL90593
DrugBankDB01708
ZINCZINC000003807917
PDB chain7xke Chain R Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xke Structures of the ADGRG2-G s complex in apo and ligand-bound forms.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		L620 P762 N763 T765 M853 F856
Binding residue
(residue number reindexed from 1)		L3 P139 N140 T142 M223 F226
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xke, PDBe:7xke, PDBj:7xke
PDBsum7xke
PubMed35982227
UniProtQ8CJ12|AGRG2_MOUSE Adhesion G-protein coupled receptor G2 (Gene Name=Adgrg2)

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