Structure of PDB 8f7s Chain D Binding Site BS03

Receptor Information
>8f7s Chain D (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLALAIAITALYSAVCAVGLLGNVLVMFVIVRYTKMKTATNIYIFSLALA
GALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYSMFTSIFTLTMMCV
DRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDG
AVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVR
LLSGSKEKDRSLRRITRMVLVVVVAFVVCWAPIHIFVIVWTLVDIDRRDP
LVVAALHLCIALGYINSSLNPVLYAFLDENFKRCFRQLC
Ligand information
Ligand IDCLR
InChIInChI=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
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(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 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(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 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8f7s Chain D Residue 405 [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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PDB8f7s Structures of the entire human opioid receptor family.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		P203 W209
Binding residue
(residue number reindexed from 1)		P159 W165
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004985 G protein-coupled opioid receptor activity
GO:0005515 protein binding
GO:0033612 receptor serine/threonine kinase binding
GO:0038046 G protein-coupled enkephalin receptor activity
GO:0042923 neuropeptide binding
Biological Process
GO:0006955 immune response
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007193 adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0007218 neuropeptide signaling pathway
GO:0008344 adult locomotory behavior
GO:0010629 negative regulation of gene expression
GO:0031333 negative regulation of protein-containing complex assembly
GO:0032793 positive regulation of CREB transcription factor activity
GO:0033138 positive regulation of peptidyl-serine phosphorylation
GO:0035094 response to nicotine
GO:0038003 G protein-coupled opioid receptor signaling pathway
GO:0042755 eating behavior
GO:0045471 response to ethanol
GO:0051881 regulation of mitochondrial membrane potential
GO:0051924 regulation of calcium ion transport
GO:0071363 cellular response to growth factor stimulus
GO:0071456 cellular response to hypoxia
GO:0097237 cellular response to toxic substance
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030672 synaptic vesicle membrane
GO:0031982 vesicle
GO:0032590 dendrite membrane
GO:0042734 presynaptic membrane
GO:0043005 neuron projection
GO:0043679 axon terminus
GO:0045211 postsynaptic membrane
GO:0097444 spine apparatus
GO:0098839 postsynaptic density membrane
GO:0098992 neuronal dense core vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8f7s, PDBe:8f7s, PDBj:8f7s
PDBsum8f7s
PubMed36638794
UniProtP41143|OPRD_HUMAN Delta-type opioid receptor (Gene Name=OPRD1)

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