Structure of PDB 7jvr Chain R Binding Site BS01

Receptor Information
>7jvr Chain R (length=269) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLV
ATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRY
TAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECI
IANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTQQKEKKAT
QMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVN
PIIYTTFNIEFRKAFLKIL
Ligand information
Ligand ID08Y
InChIInChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
InChIKeyOZVBMTJYIDMWIL-AYFBDAFISA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(C)C[CH]1N2C(=O)[C](NC(=O)[CH]3CN(C)[CH]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C]2(O)[CH]7CCCN7C1=O)C(C)C
ACDLabs 12.01Brc7nc6cccc5C4=CC(C(=O)NC1(OC3(O)N(C1=O)C(C(=O)N2CCCC23)CC(C)C)C(C)C)CN(C)C4Cc7c56
CACTVS 3.370CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
OpenEye OEToolkits 1.7.2CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
OpenEye OEToolkits 1.7.2CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
FormulaC32 H40 Br N5 O5
Namebromoergocryptine;
bromocriptine
ChEMBLCHEMBL493
DrugBankDB01200
ZINCZINC000053683151
PDB chain7jvr Chain R Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7jvr Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F110 C118 T119 I184 S197 F389 F390
Binding residue
(residue number reindexed from 1)		F77 C85 T86 I151 S164 F217 F218
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001591 dopamine neurotransmitter receptor activity, coupled via Gi/Go
GO:0001965 G-protein alpha-subunit binding
GO:0004930 G protein-coupled receptor activity
GO:0004952 dopamine neurotransmitter receptor activity
GO:0005102 signaling receptor binding
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0032795 heterotrimeric G-protein binding
GO:0035240 dopamine binding
GO:0035255 ionotropic glutamate receptor binding
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
GO:0046872 metal ion binding
GO:0097159 organic cyclic compound binding
GO:1901363 heterocyclic compound binding
Biological Process
GO:0001659 temperature homeostasis
GO:0001666 response to hypoxia
GO:0001764 neuron migration
GO:0001964 startle response
GO:0001975 response to amphetamine
GO:0001976 nervous system process involved in regulation of systemic arterial blood pressure
GO:0002027 regulation of heart rate
GO:0002028 regulation of sodium ion transport
GO:0002031 G protein-coupled receptor internalization
GO:0002052 positive regulation of neuroblast proliferation
GO:0002092 positive regulation of receptor internalization
GO:0006914 autophagy
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007195 adenylate cyclase-inhibiting dopamine receptor signaling pathway
GO:0007212 G protein-coupled dopamine receptor signaling pathway
GO:0007270 neuron-neuron synaptic transmission
GO:0007405 neuroblast proliferation
GO:0007409 axonogenesis
GO:0007416 synapse assembly
GO:0007608 sensory perception of smell
GO:0007616 long-term memory
GO:0007625 grooming behavior
GO:0007626 locomotory behavior
GO:0007628 adult walking behavior
GO:0007631 feeding behavior
GO:0008104 protein localization
GO:0008283 cell population proliferation
GO:0008285 negative regulation of cell population proliferation
GO:0008306 associative learning
GO:0008542 visual learning
GO:0009410 response to xenobiotic stimulus
GO:0009416 response to light stimulus
GO:0009636 response to toxic substance
GO:0010039 response to iron ion
GO:0014059 regulation of dopamine secretion
GO:0014854 response to inactivity
GO:0016055 Wnt signaling pathway
GO:0016477 cell migration
GO:0021756 striatum development
GO:0021769 orbitofrontal cortex development
GO:0021853 cerebral cortex GABAergic interneuron migration
GO:0021984 adenohypophysis development
GO:0022900 electron transport chain
GO:0030336 negative regulation of cell migration
GO:0030432 peristalsis
GO:0030534 adult behavior
GO:0030900 forebrain development
GO:0031223 auditory behavior
GO:0032228 regulation of synaptic transmission, GABAergic
GO:0032355 response to estradiol
GO:0032467 positive regulation of cytokinesis
GO:0032922 circadian regulation of gene expression
GO:0033602 negative regulation of dopamine secretion
GO:0034776 response to histamine
GO:0035094 response to nicotine
GO:0035810 positive regulation of urine volume
GO:0035815 positive regulation of renal sodium excretion
GO:0040018 positive regulation of multicellular organism growth
GO:0042220 response to cocaine
GO:0042321 negative regulation of circadian sleep/wake cycle, sleep
GO:0042417 dopamine metabolic process
GO:0042756 drinking behavior
GO:0043266 regulation of potassium ion transport
GO:0043278 response to morphine
GO:0043408 regulation of MAPK cascade
GO:0043410 positive regulation of MAPK cascade
GO:0043473 pigmentation
GO:0043491 phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0045471 response to ethanol
GO:0045745 positive regulation of G protein-coupled receptor signaling pathway
GO:0045776 negative regulation of blood pressure
GO:0045824 negative regulation of innate immune response
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046676 negative regulation of insulin secretion
GO:0046717 acid secretion
GO:0048148 behavioral response to cocaine
GO:0048149 behavioral response to ethanol
GO:0048169 regulation of long-term neuronal synaptic plasticity
GO:0048678 response to axon injury
GO:0048755 branching morphogenesis of a nerve
GO:0050482 arachidonate secretion
GO:0050673 epithelial cell proliferation
GO:0050680 negative regulation of epithelial cell proliferation
GO:0050709 negative regulation of protein secretion
GO:0050769 positive regulation of neurogenesis
GO:0050804 modulation of chemical synaptic transmission
GO:0050805 negative regulation of synaptic transmission
GO:0051209 release of sequestered calcium ion into cytosol
GO:0051481 negative regulation of cytosolic calcium ion concentration
GO:0051580 regulation of neurotransmitter uptake
GO:0051583 dopamine uptake involved in synaptic transmission
GO:0051584 regulation of dopamine uptake involved in synaptic transmission
GO:0051586 positive regulation of dopamine uptake involved in synaptic transmission
GO:0051823 regulation of synapse structural plasticity
GO:0051898 negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051967 negative regulation of synaptic transmission, glutamatergic
GO:0060079 excitatory postsynaptic potential
GO:0060124 positive regulation of growth hormone secretion
GO:0060134 prepulse inhibition
GO:0060158 phospholipase C-activating dopamine receptor signaling pathway
GO:0060160 negative regulation of dopamine receptor signaling pathway
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0071300 cellular response to retinoic acid
GO:0071361 cellular response to ethanol
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
GO:0090325 regulation of locomotion involved in locomotory behavior
GO:0099170 postsynaptic modulation of chemical synaptic transmission
GO:0099171 presynaptic modulation of chemical synaptic transmission
GO:1900038 negative regulation of cellular response to hypoxia
GO:1900168 positive regulation of glial cell-derived neurotrophic factor production
GO:1900273 positive regulation of long-term synaptic potentiation
GO:1901386 negative regulation of voltage-gated calcium channel activity
GO:1903530 regulation of secretion by cell
GO:1990384 hyaloid vascular plexus regression
GO:2001223 negative regulation of neuron migration
Cellular Component
GO:0000139 Golgi membrane
GO:0001669 acrosomal vesicle
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0016020 membrane
GO:0016328 lateral plasma membrane
GO:0030139 endocytic vesicle
GO:0030424 axon
GO:0030425 dendrite
GO:0030672 synaptic vesicle membrane
GO:0036126 sperm flagellum
GO:0042597 periplasmic space
GO:0042734 presynaptic membrane
GO:0043197 dendritic spine
GO:0043204 perikaryon
GO:0043679 axon terminus
GO:0045211 postsynaptic membrane
GO:0060170 ciliary membrane
GO:0097648 G protein-coupled receptor complex
GO:0097730 non-motile cilium
GO:0098691 dopaminergic synapse
GO:0098978 glutamatergic synapse
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7jvr, PDBe:7jvr, PDBj:7jvr
PDBsum7jvr
PubMed33571431
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
P14416|DRD2_HUMAN D(2) dopamine receptor (Gene Name=DRD2)

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