Structure of PDB 8efl Chain R Binding Site BS03

Receptor Information
>8efl Chain R (length=287) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALA
DALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSV
DRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQG
SIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVR
MLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTF
QTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREF
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 chain8efl Chain R Residue 403 [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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PDB8efl Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		P297 Y301 S319
Binding residue
(residue number reindexed from 1)		P232 Y236 S254
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001965 G-protein alpha-subunit binding
GO:0004930 G protein-coupled receptor activity
GO:0004979 beta-endorphin receptor activity
GO:0004985 G protein-coupled opioid receptor activity
GO:0005245 voltage-gated calcium channel activity
GO:0005515 protein binding
GO:0031681 G-protein beta-subunit binding
GO:0038047 morphine receptor activity
GO:0042923 neuropeptide binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007197 adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway
GO:0007200 phospholipase C-activating G protein-coupled receptor signaling pathway
GO:0007218 neuropeptide signaling pathway
GO:0007600 sensory perception
GO:0008285 negative regulation of cell population proliferation
GO:0019233 sensory perception of pain
GO:0038003 G protein-coupled opioid receptor signaling pathway
GO:0048149 behavioral response to ethanol
GO:0050769 positive regulation of neurogenesis
GO:0061358 negative regulation of Wnt protein secretion
GO:0070374 positive regulation of ERK1 and ERK2 cascade
GO:0070588 calcium ion transmembrane transport
GO:0071315 cellular response to morphine
GO:0080135 regulation of cellular response to stress
GO:2000310 regulation of NMDA receptor activity
Cellular Component
GO:0005737 cytoplasm
GO:0005768 endosome
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0042995 cell projection
GO:0043005 neuron projection
GO:0043204 perikaryon
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:8efl, PDBe:8efl, PDBj:8efl
PDBsum8efl
PubMed36368306
UniProtP35372|OPRM_HUMAN Mu-type opioid receptor (Gene Name=OPRM1)

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