Structure of PDB 8iq4 Chain R Binding Site BS01

Receptor Information
>8iq4 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 ID87Q
InChIInChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1
InChIKeyDLJKPYFALUEJCK-IIELGFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCC[C](C)(O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
OpenEye OEToolkits 2.0.7CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
CACTVS 3.385CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
FormulaC21 H36 O5
NameZ-7-[(1R,2R,3R,5S)-2-[(E,3S)-3-methyl-3-oxidanyl-oct-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid;
7-[3,5-Dihydroxy-2-(3-hydroxy-3-methyloct-1-enyl)cyclopentyl]hept-5-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain8iq4 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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PDB8iq4 Structures of human prostaglandin F 2 alpha receptor reveal the mechanism of ligand and G protein selectivity.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S33 F36 H81 N84 G85 Y92 M115 T184 T294 Q297
Binding residue
(residue number reindexed from 1)		S7 F10 H55 N58 G59 Y66 M89 T158 T255 Q258
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:8iq4, PDBe:8iq4, PDBj:8iq4
PDBsum8iq4
PubMed38065938
UniProtP43088|PF2R_HUMAN Prostaglandin F2-alpha receptor (Gene Name=PTGFR)

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