Structure of PDB 8yut Chain R Binding Site BS02

Receptor Information
>8yut 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]
DSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAI
TDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMI
SLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRN
ETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQ
AKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGD
DAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCC
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 chain8yut Chain R Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8yut Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I21 Q79 I272 W275 A279
Binding residue
(residue number reindexed from 1)		I9 Q67 I260 W263 A267
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004969 histamine receptor activity
GO:0004993 G protein-coupled serotonin receptor activity
GO:0030594 neurotransmitter receptor activity
Biological Process
GO:0006955 immune response
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007268 chemical synaptic transmission
GO:0098664 G protein-coupled serotonin receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0030425 dendrite
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8yut, PDBe:8yut, PDBj:8yut
PDBsum8yut
PubMed38647423
UniProtP25021|HRH2_HUMAN Histamine H2 receptor (Gene Name=HRH2)

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