Structure of PDB 8yuu Chain R Binding Site BS02

Receptor Information
>8yuu Chain R (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDF
LVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCTSSAFNIVLISYD
RFLSVTRAVSYRAQQGDTRRAVRKMLLVWVLAFLLYGPAILSWEYLSGGS
SIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRL
RLDGSFTQRFRLSRDRKVAKSLAVIVSIFGLCWAPYTLLMIIRAACHGHC
VPDYWYETSFWLLWANSAVNPVLYPLCHHSFRRAFTKLL
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 chain8yuu Chain R Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8yuu Molecular Determinant Underlying Selective Coupling of Primary G-Protein by Class A GPCRs.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L40 M41 L44 E395 T396 W399
Binding residue
(residue number reindexed from 1)		L9 M10 L13 E257 T258 W261
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:0016907 G protein-coupled acetylcholine receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007197 adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0007269 neurotransmitter secretion
GO:0098664 G protein-coupled serotonin receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0030425 dendrite
GO:0045202 synapse
GO:0098793 presynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8yuu, PDBe:8yuu, PDBj:8yuu
PDBsum8yuu
PubMed38647423
UniProtQ9Y5N1|HRH3_HUMAN Histamine H3 receptor (Gene Name=HRH3)

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