Structure of PDB 5yhl Chain A Binding Site BS01

Receptor Information
>5yhl Chain A (length=280) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLLVTDLL
GTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSRLSIICAMSVER
YLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPD
TWCFIDWTTQVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHAGA
EIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIR
IASVNPILDPWIYILLRKTVLSKAIEKIKC
Ligand information
Ligand ID8VL
InChIInChI=1S/C24H21BrN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1
InChIKeyMCJIJRUBPRBSIT-OAHLLOKOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N
OpenEye OEToolkits 2.0.6C[C@H](c1ccc(c2c1cccc2)Br)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N
CACTVS 3.385C[C@@H](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(Br)c3ccccc23
CACTVS 3.385C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(Br)c3ccccc23
FormulaC24 H21 Br N2 O3
Name4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
ChEMBL
DrugBank
ZINC
PDB chain5yhl Chain A 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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PDB5yhl Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		T76 Y80 W169 L312 I315 R316 S319
Binding residue
(residue number reindexed from 1)		T59 Y63 W152 L246 I249 R250 S253
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.74,Kd=18nM
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
View graph for
Cellular Component
External links
PDB RCSB:5yhl, PDBe:5yhl, PDBj:5yhl
PDBsum5yhl
PubMed30510193
UniProtP35408|PE2R4_HUMAN Prostaglandin E2 receptor EP4 subtype (Gene Name=PTGER4)

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