Structure of PDB 7yfd Chain R Binding Site BS01

Receptor Information
>7yfd Chain R (length=261) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSTRVTLAFFMSLVAFAIMLGNALVILAFVVDKNLRHRSSYFFLNLAISD
FFVGVISIPLYIPHTLFEWDFGKEICVFWLTTDYLLCTASVYNIVLISYD
RYLSVSNAVSYRTQHTGVLKIVTLMVAVWVLAFLVNGPMILVSESWKGSE
CEPGFFSEWYILAITSFLEFVIPVILVAYFNMNIYWSLWKRARRLAKSLA
ILLGVFAVCWAPYSLFTIVLSFYKSVWYRIAFWLQWFNSFVNPLLYPLCH
KRFQKAFLKIF
Ligand information
Ligand IDITF
InChIInChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
InChIKeyPEHSVUKQDJULKE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/SCCc1cnc[nH]1
CACTVS 3.385NC(=N)SCCc1[nH]cnc1
OpenEye OEToolkits 2.0.7c1c([nH]cn1)CCSC(=N)N
FormulaC6 H10 N4 S
Name2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate
ChEMBLCHEMBL19439
DrugBank
ZINCZINC000005425255
PDB chain7yfd Chain R Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7yfd Structural insights into the agonists binding and receptor selectivity of human histamine H4 receptor
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D94 Y95 C98 E182 F344 Q347 W348
Binding residue
(residue number reindexed from 1)		D83 Y84 C87 E169 F232 Q235 W236
Annotation score1
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:0006954 inflammatory response
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:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007268 chemical synaptic transmission
GO:0008150 biological_process
GO:0043408 regulation of MAPK cascade
GO:0098664 G protein-coupled serotonin receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0016020 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:7yfd, PDBe:7yfd, PDBj:7yfd
PDBsum7yfd
PubMed37863901
UniProtQ9H3N8|HRH4_HUMAN Histamine H4 receptor (Gene Name=HRH4)

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