Structure of PDB 7d7m Chain A Binding Site BS01

Receptor Information
>7d7m Chain A (length=285) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLG
TLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERY
LAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDT
WCFIDWTTQVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFF
RRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNP
DLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIK
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 chain7d7m Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d7m Cryo-EM Structure of the Prostaglandin E Receptor EP4 Coupled to G Protein.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		M27 T69 T76 Y80 T168 W169 L312 A318 S319
Binding residue
(residue number reindexed from 1)		M9 T51 T58 Y62 T150 W151 L252 A258 S259
Annotation score4
Binding affinityBindingDB: Ki=0.79nM,EC50=3nM,IC50=0.700000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004955 prostaglandin receptor activity
GO:0004957 prostaglandin E receptor activity
Biological Process
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:7d7m, PDBe:7d7m, PDBj:7d7m
PDBsum7d7m
PubMed33264604
UniProtP35408|PE2R4_HUMAN Prostaglandin E2 receptor EP4 subtype (Gene Name=PTGER4)

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