Structure of PDB 8iuk Chain R Binding Site BS01

Receptor Information
>8iuk Chain R (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVFFSVIFMTVGILSNSLAIAILMKAYQRFRQKSKASFLLLASGLVITDF
FGHLINGAIAVFVYASDKEWIRFDQSNVLCSIFGICMVFSGLCPLLLGSV
MAIERCIGVTKPIFHSTKITSKHVKMMLSGVCLFAVFIALLPILGHRDYK
IQASRTWCFYNTEDIKDWEDRFYLLLFSFLGLLALGVSLLCNAITGITLL
RVKFKSQQHGRSHHLEMVIQLLAIMCVSCICWSPFLVTMANIGINGNHSL
ETCETTLFALRMATWNQILDPWVYILLRKAVLKNLYKLASQCC
Ligand information
Ligand IDUGU
InChIInChI=1S/C20H34O5/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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKeyPXGPLTODNUVGFL-YNNPMVKQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
CACTVS 3.385CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
CACTVS 3.385CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
FormulaC20 H34 O5
Name(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid;
Dinoprost;
Prostaglandin F2a;
PGF2alpha
ChEMBLCHEMBL815
DrugBankDB12789
ZINCZINC000003830709
PDB chain8iuk Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iuk Ligand-induced activation and G protein coupling of prostaglandin F 2 alpha receptor.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		F32 S33 H81 N84 G85 R291 T294
Binding residue
(residue number reindexed from 1)		F4 S5 H53 N56 G57 R261 T264
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004958 prostaglandin F 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:0007567 parturition
GO:0008284 positive regulation of cell population proliferation
GO:0010628 positive regulation of gene expression
GO:0032355 response to estradiol
GO:0032496 response to lipopolysaccharide
GO:0043066 negative regulation of apoptotic process
GO:0071799 cellular response to prostaglandin D stimulus
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
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:8iuk, PDBe:8iuk, PDBj:8iuk
PDBsum8iuk
PubMed37160891
UniProtP43088|PF2R_HUMAN Prostaglandin F2-alpha receptor (Gene Name=PTGFR)

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