Structure of PDB 7ckx Chain R Binding Site BS01

Receptor Information
>7ckx Chain R (length=273) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVS
DLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISV
DRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKNCDS
SLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHS
FKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCCIDSNTFDVFVWFGW
ANSSLNPIIYAFNADFRKAFSTL
Ligand information
Ligand IDG3O
InChIInChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11-,12+,13-,17-,18-,20-/m0/s1
InChIKeyQLJOSZATCBCBDR-XTKNRUCHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4
OpenEye OEToolkits 2.0.7c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O
CACTVS 3.385NC[CH]1O[CH](Cc2c(O)c(O)ccc12)C34CC5CC(CC(C5)C3)C4
OpenEye OEToolkits 2.0.7c1cc(c(c2c1C(OC(C2)C34CC5CC(C3)CC(C5)C4)CN)O)O
FormulaC20 H27 N O3
Name(1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol
ChEMBL
DrugBank
ZINC
PDB chain7ckx Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7ckx Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Resolution3.54 Å
Binding residue
(original residue number in PDB)		D103 S107 S188 L190 S198 S199 F288 F289
Binding residue
(residue number reindexed from 1)		D84 S88 S150 L152 S160 S161 F225 F226
Annotation score1
Binding affinityBindingDB: Ki=21nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001588 dopamine neurotransmitter receptor activity, coupled via Gs
GO:0001965 G-protein alpha-subunit binding
GO:0004930 G protein-coupled receptor activity
GO:0004952 dopamine neurotransmitter receptor activity
GO:0005515 protein binding
GO:0032795 heterotrimeric G-protein binding
GO:0035240 dopamine binding
GO:1990763 arrestin family protein binding
Biological Process
GO:0001659 temperature homeostasis
GO:0001661 conditioned taste aversion
GO:0001662 behavioral fear response
GO:0001764 neuron migration
GO:0001963 synaptic transmission, dopaminergic
GO:0001975 response to amphetamine
GO:0006606 protein import into nucleus
GO:0006936 muscle contraction
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:0007190 activation of adenylate cyclase activity
GO:0007191 adenylate cyclase-activating dopamine receptor signaling pathway
GO:0007212 G protein-coupled dopamine receptor signaling pathway
GO:0007416 synapse assembly
GO:0007612 learning
GO:0007613 memory
GO:0007617 mating behavior
GO:0007625 grooming behavior
GO:0007626 locomotory behavior
GO:0007628 adult walking behavior
GO:0007631 feeding behavior
GO:0008306 associative learning
GO:0008542 visual learning
GO:0009410 response to xenobiotic stimulus
GO:0014002 astrocyte development
GO:0015872 dopamine transport
GO:0016477 cell migration
GO:0019226 transmission of nerve impulse
GO:0019228 neuronal action potential
GO:0021542 dentate gyrus development
GO:0021756 striatum development
GO:0021766 hippocampus development
GO:0021853 cerebral cortex GABAergic interneuron migration
GO:0030335 positive regulation of cell migration
GO:0030432 peristalsis
GO:0035106 operant conditioning
GO:0035249 synaptic transmission, glutamatergic
GO:0042053 regulation of dopamine metabolic process
GO:0042220 response to cocaine
GO:0042311 vasodilation
GO:0042417 dopamine metabolic process
GO:0042711 maternal behavior
GO:0043268 positive regulation of potassium ion transport
GO:0043410 positive regulation of MAPK cascade
GO:0046323 D-glucose import
GO:0046959 habituation
GO:0046960 sensitization
GO:0048148 behavioral response to cocaine
GO:0051281 positive regulation of release of sequestered calcium ion into cytosol
GO:0051584 regulation of dopamine uptake involved in synaptic transmission
GO:0051968 positive regulation of synaptic transmission, glutamatergic
GO:0060134 prepulse inhibition
GO:0060158 phospholipase C-activating dopamine receptor signaling pathway
GO:0060291 long-term synaptic potentiation
GO:0060292 long-term synaptic depression
GO:0071870 cellular response to catecholamine stimulus
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
GO:0099010 modification of postsynaptic structure
GO:0099171 presynaptic modulation of chemical synaptic transmission
GO:2001224 positive regulation of neuron migration
Cellular Component
GO:0005634 nucleus
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0030425 dendrite
GO:0042734 presynaptic membrane
GO:0042995 cell projection
GO:0043197 dendritic spine
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0060170 ciliary membrane
GO:0097648 G protein-coupled receptor complex
GO:0097730 non-motile cilium
GO:0098978 glutamatergic synapse
GO:0098982 GABA-ergic synapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7ckx, PDBe:7ckx, PDBj:7ckx
PDBsum7ckx
PubMed33571432
UniProtP21728|DRD1_HUMAN D(1A) dopamine receptor (Gene Name=DRD1)

[Back to BioLiP]