Structure of PDB 8kh5 Chain A Binding Site BS03

Receptor Information
>8kh5 Chain A (length=281) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDFRYFIYAVTYTVILVPGLIGNILALWVFYGYMKETKRAVIFMINLAIA
DLLQVLSLPLRIFYYLNHDWPFGPGLCMFCFYLKYVNMYASIYFLVCISV
RRFWFLMYPFRFHDCKQKYDLYISIAGWLIICLACVLFPLLRTKCFVDLP
TRNVNLAQSVVMMTIGELIGFVTPLLIVLYCTWKTVLSLQDKYPMAQDLG
EKQKALKMILTCAGVFLICFAPYHFSFPLDFLVKSNEIKSCLARRVILIF
HSVALCLASLNSCLDPVIYYFSTNEFRRRLS
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8kh5 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8kh5 Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling.
Resolution2.83 Å
Binding residue
(original residue number in PDB)		Y107 V110 C111 I137 P197 I200
Binding residue
(residue number reindexed from 1)		Y93 V96 C97 I123 P174 I177
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0045125 bioactive lipid receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0032703 negative regulation of interleukin-2 production
GO:0035025 positive regulation of Rho protein signal transduction
GO:0043029 T cell homeostasis
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0034451 centriolar satellite
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8kh5, PDBe:8kh5, PDBj:8kh5
PDBsum8kh5
PubMed37737235
UniProtQ9BXC1|GP174_HUMAN Probable G-protein coupled receptor 174 (Gene Name=GPR174)

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