Structure of PDB 8irv Chain R Binding Site BS06

Receptor Information

>8irv Chain R (length=279) Species: 562,9606

GPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVS
DLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISV
DRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDENC
DSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAE
HAQSKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSCVSETTFDVFV
WFGWANSSLNPVIYAFNADFQKVFAQLLG

Ligand information

• Ligand ID: CLR
• InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
  CACTVS 3.341: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
  ACDLabs 10.04: OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
  OpenEye OEToolkits 1.5.0: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
  CACTVS 3.341: CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
• Formula: C27 H46 O
• Name: CHOLESTEROL
• ChEMBL: CHEMBL112570
• DrugBank: DB04540
• ZINC: ZINC000003875383
• PDB chain: 8irv Chain R Residue 508

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8irv Structural genomics of the human dopamine receptor system.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): S299 C307
• Binding residue (residue number reindexed from 1): S215 C223
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0001588 dopamine neurotransmitter receptor activity, coupled via Gs
• 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:0035240 dopamine binding
• GO:0046872 metal ion binding

Biological Process

• GO:0001963 synaptic transmission, dopaminergic
• GO:0001975 response to amphetamine
• GO:0001992 regulation of systemic arterial blood pressure by vasopressin
• GO:0001994 norepinephrine-epinephrine vasoconstriction involved in regulation of systemic arterial blood pressure
• GO:0006874 intracellular calcium ion homeostasis
• GO:0007186 G protein-coupled receptor signaling pathway
• 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:0007268 chemical synaptic transmission
• GO:0007617 mating behavior
• GO:0008306 associative learning
• GO:0019226 transmission of nerve impulse
• GO:0022900 electron transport chain
• GO:0033861 negative regulation of NAD(P)H oxidase activity
• GO:0042060 wound healing
• GO:0042220 response to cocaine
• GO:0043410 positive regulation of MAPK cascade
• GO:0045762 positive regulation of adenylate cyclase activity
• GO:0045776 negative regulation of blood pressure
• GO:0045924 regulation of female receptivity
• GO:0046960 sensitization
• GO:0060158 phospholipase C-activating dopamine receptor signaling pathway
• GO:0060292 long-term synaptic depression
• GO:0071870 cellular response to catecholamine stimulus
• GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
• GO:0072593 reactive oxygen species metabolic process

Cellular Component

• GO:0005886 plasma membrane
• GO:0005929 cilium
• GO:0016020 membrane
• GO:0031526 brush border membrane
• GO:0042597 periplasmic space
• GO:0045202 synapse
• GO:0060170 ciliary membrane
• GO:0097730 non-motile cilium

External links

• PDB: RCSB:8irv, PDBe:8irv, PDBj:8irv
• PDBsum: 8irv
• PubMed: 37221270
• UniProt: P0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
  P21918