Structure of PDB 8irt Chain R Binding Site BS01

Receptor Information
>8irt Chain R (length=273) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVAT
LVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYT
AVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTV
CSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRIPLREKKA
TQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSA
LNPVIYTTFNIEFRKAFLKILSC
Ligand information
Ligand IDR5F
InChIInChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
InChIKeyKFQYTPMOWPVWEJ-INIZCTEOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCN(CCc1cccs1)C2CCc3c(cccc3O)C2
CACTVS 3.385CCCN(CCc1sccc1)[CH]2CCc3c(O)cccc3C2
CACTVS 3.385CCCN(CCc1sccc1)[C@H]2CCc3c(O)cccc3C2
OpenEye OEToolkits 2.0.7CCCN(CCc1cccs1)[C@H]2CCc3c(cccc3O)C2
FormulaC19 H25 N O S
NameRotigotine;
(6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
ChEMBLCHEMBL1303
DrugBankDB05271
ZINCZINC000000004028
PDB chain8irt Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8irt Structural genomics of the human dopamine receptor system.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D110 V111 C114 S192 S196 W342 F345 F346 H349 T369 Y373
Binding residue
(residue number reindexed from 1)		D80 V81 C84 S162 S166 W215 F218 F219 H222 T242 Y246
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001591 dopamine neurotransmitter receptor activity, coupled via Gi/Go
GO:0004930 G protein-coupled receptor activity
GO:0004952 dopamine neurotransmitter receptor activity
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0001963 synaptic transmission, dopaminergic
GO:0002031 G protein-coupled receptor internalization
GO:0006874 intracellular calcium ion homeostasis
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007191 adenylate cyclase-activating dopamine receptor signaling pathway
GO:0007195 adenylate cyclase-inhibiting dopamine receptor signaling pathway
GO:0007611 learning or memory
GO:0007612 learning
GO:0007626 locomotory behavior
GO:0008542 visual learning
GO:0009410 response to xenobiotic stimulus
GO:0014059 regulation of dopamine secretion
GO:0022900 electron transport chain
GO:0032467 positive regulation of cytokinesis
GO:0032922 circadian regulation of gene expression
GO:0034776 response to histamine
GO:0035176 social behavior
GO:0042220 response to cocaine
GO:0042417 dopamine metabolic process
GO:0043266 regulation of potassium ion transport
GO:0043278 response to morphine
GO:0043410 positive regulation of MAPK cascade
GO:0045471 response to ethanol
GO:0045776 negative regulation of blood pressure
GO:0045840 positive regulation of mitotic nuclear division
GO:0046717 acid secretion
GO:0048148 behavioral response to cocaine
GO:0048715 negative regulation of oligodendrocyte differentiation
GO:0050482 arachidonate secretion
GO:0050709 negative regulation of protein secretion
GO:0050883 musculoskeletal movement, spinal reflex action
GO:0051481 negative regulation of cytosolic calcium ion concentration
GO:0051584 regulation of dopamine uptake involved in synaptic transmission
GO:0051898 negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051967 negative regulation of synaptic transmission, glutamatergic
GO:0060134 prepulse inhibition
GO:0060158 phospholipase C-activating dopamine receptor signaling pathway
GO:0060161 positive regulation of dopamine receptor signaling pathway
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0042597 periplasmic space
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:8irt, PDBe:8irt, PDBj:8irt
PDBsum8irt
PubMed37221270
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
P35462

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