Structure of PDB 7um6 Chain A Binding Site BS01

Receptor Information
>7um6 Chain A (length=258) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVLILTLLGFLVAATFAWNLLVLATILRVRTFHRVPHNLVASMAVSDVLV
AALVMPLSLVHELSGRRWQLGRRLCQLWIACDVLCCTASIWNVTAIALDR
YWSITRPMEYTLRTRKCVSNVMIALTWALSAVISLAPLLFGEECQVSREP
SYAVFSTVGAFYLPLCVVLFVYWKIYKAAKFRVWREQKEQRAALMVGILI
GVFVLCWIPFFLTELISPLCSCDIPAIWKSIFLWLGYSNSFFNPLIYTAF
NKNYNSAF
Ligand information
Ligand IDH8G
InChIInChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
InChIKeyBKRGVLQUQGGVSM-KBXCAEBGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCN(CC)C(=O)NC1CN(C2Cc3c[nH]c4c3c(ccc4)C2=C1)C
OpenEye OEToolkits 2.0.6CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
ACDLabs 12.01CCN(CC)C(=O)NC3C=C2c4cccc1c4c(cn1)CC2N(C)C3
CACTVS 3.385CCN(CC)C(=O)N[CH]1CN(C)[CH]2Cc3c[nH]c4cccc(C2=C1)c34
CACTVS 3.385CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
FormulaC20 H26 N4 O
NameN,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea;
lisuride
ChEMBLCHEMBL157138
DrugBankDB00589
ZINCZINC000003831001
PDB chain7um6 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7um6 Inactive and active state structures template selective tools for the human 5-HT 5A receptor.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		W117 D121 C125 S204 F301
Binding residue
(residue number reindexed from 1)		W78 D82 C86 S156 F210
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001586 Gi/o-coupled serotonin receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0004993 G protein-coupled serotonin receptor activity
GO:0030594 neurotransmitter receptor activity
GO:0051378 serotonin binding
GO:0099589 serotonin 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:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007198 adenylate cyclase-inhibiting serotonin receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0021766 hippocampus development
GO:0032355 response to estradiol
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0043204 perikaryon
GO:0099634 postsynaptic specialization membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7um6, PDBe:7um6, PDBj:7um6
PDBsum7um6
PubMed35835867
UniProtP47898|5HT5A_HUMAN 5-hydroxytryptamine receptor 5A (Gene Name=HTR5A)

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