Structure of PDB 8iq6 Chain R Binding Site BS01

Receptor Information
>8iq6 Chain R (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLSVFFSVIFMTVGILSNSLAIAILMKAYQRFRQKSKASFLLLASGLVIT
DFFGHLINGAIAVFVYASDKEWIRFDQSNVLCSIFGICMVFSGLCPLLLG
SVMAIERCIGVTKPIFHSTKITSKHVKMMLSGVCLFAVFIALLPILGHRD
YKIQASRTWCFYNTEDIKDWEDRFYLLLFSFLGLLALGVSLLCNAITGIT
LLRHHLEMVIQLLAIMCVSCICWSPFLVTMANIGINGNHSLETCETTLFA
LRMATWNQILDPWVYILLRKAVLK
Ligand information
Ligand ID7WT
InChIInChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1
InChIKeyHNPFPERDNWXAGS-NFVOFSAMSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2
CACTVS 3.385O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O)CCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC[C@@H](CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCC(CCC2C(CC(C2CC=CCCCC(=O)O)O)O)O
FormulaC23 H34 O5
NameZ-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid;
7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid
ChEMBLCHEMBL1050
DrugBank
ZINCZINC000013589951
PDB chain8iq6 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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PDB8iq6 Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		S33 F36 H81 Y92 F111 M115 G119 T184 F265 L290 T294
Binding residue
(residue number reindexed from 1)		S7 F10 H55 Y66 F85 M89 G93 T158 F226 L251 T255
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:8iq6, PDBe:8iq6, PDBj:8iq6
PDBsum8iq6
PubMed38065938
UniProtP43088|PF2R_HUMAN Prostaglandin F2-alpha receptor (Gene Name=PTGFR)

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