Structure of PDB 7cx2 Chain R Binding Site BS01

Receptor Information
>7cx2 Chain R (length=266) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESPAISSVMFSAGVLGNLIALALLARSLFHVLVTELVFTDLLGTCLISPV
VLASYARNQTLVALAPESRACTYFAFAMTFFSLATMLMLFAMALERYLSI
GHPYFYQRRVSRSGGLAVLPVIYAVSLLFCSLPLLDYGQYVQYCPGTWCF
IRHGRTAYLQLYATLLLLLIVSVLACNFSVILNLIRMHRRSRAEETDHLI
LLAIMTITFAVCSLPFTIFAYMNETSSRKEKWDLQALRFLSINSIIDPWV
FAILRPPVLRLMRSVL
Ligand information
Ligand IDP2E
InChIInChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
InChIKeyXEYBRNLFEZDVAW-ARSRFYASSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
CACTVS 3.341CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCC[C@@H](\C=C\[C@H]1[C@@H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O
CACTVS 3.341CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
ACDLabs 10.04O=C1CC(O)C(/C=C/C(O)CCCCC)C1C\C=C/CCCC(=O)O
FormulaC20 H32 O5
Name(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid;
Prostaglandin E2
ChEMBLCHEMBL548
DrugBankDB00917
ZINCZINC000003830713
PDB chain7cx2 Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7cx2 Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S28 T82 S86 Y93 T123 L298 R302 S305 N307
Binding residue
(residue number reindexed from 1)		S6 T44 S48 Y55 T85 L234 R238 S241 N243
Annotation score4
Binding affinityBindingDB: Ki=4.9nM,IC50=2.6nM,EC50=331nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004957 prostaglandin E receptor activity
Biological Process
GO:0006954 inflammatory response
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0009624 response to nematode
GO:0032496 response to lipopolysaccharide
GO:0032570 response to progesterone
GO:0042127 regulation of cell population proliferation
GO:0071380 cellular response to prostaglandin E stimulus
Cellular Component
GO:0005886 plasma membrane
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:7cx2, PDBe:7cx2, PDBj:7cx2
PDBsum7cx2
PubMed33811074
UniProtP43116|PE2R2_HUMAN Prostaglandin E2 receptor EP2 subtype (Gene Name=PTGER2)

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