Structure of PDB 5ywy Chain A Binding Site BS01

Receptor Information
>5ywy 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 ID7UR
InChIInChI=1S/C24H21FN2O3/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
InChIKeyMTDIMKNAJUQTIO-OAHLLOKOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(F)c3ccccc23
OpenEye OEToolkits 2.0.6CC(c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N
CACTVS 3.385C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(F)c3ccccc23
OpenEye OEToolkits 2.0.6C[C@H](c1ccc(c2c1cccc2)F)C(=O)Nc3cc(ccc3CCCC(=O)O)C#N
FormulaC24 H21 F N2 O3
Name4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
ChEMBL
DrugBank
ZINCZINC000034230995
PDB chain5ywy Chain A Residue 501 [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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PDB5ywy Ligand binding to human prostaglandin E receptor EP4at the lipid-bilayer interface.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		T76 Y80 W169 L312 I315 R316 S319 V320
Binding residue
(residue number reindexed from 1)		T59 Y63 W152 L246 I249 R250 S253 V254
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.23,Kd=59nM
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:5ywy, PDBe:5ywy, PDBj:5ywy
PDBsum5ywy
PubMed30510193
UniProtP35408|PE2R4_HUMAN Prostaglandin E2 receptor EP4 subtype (Gene Name=PTGER4)

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