Structure of PDB 8feg Chain B Binding Site BS02

Receptor Information
>8feg Chain B (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALAD
ALVTTTMPFQSTVYLMNSWPFGDVLCKIVLSIDYYNMFTSIFTLTMMSVD
RYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVRDVI
ECSLQFPDSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSG
SREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSS
YYFCIALGYTNSCLNPILYAFLDENFKR
Ligand information
Ligand IDXT9
InChIInChI=1S/C19H26N2O3/c1-2-8-21-9-7-18-15-11-3-4-13(22)16(15)24-17(18)12(20)5-6-19(18,23)14(21)10-11/h3-4,12,14,17,22-23H,2,5-10,20H2,1H3/t12-,14+,17+,18-,19-/m1/s1
InChIKeySZCSIOFISXRVGM-UBDCPRGSSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Oc1ccc2CC3N(CCC45C(Oc1c24)C(N)CCC35O)CCC
CACTVS 3.385CCCN1CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[C]2(O)CC[CH]4N)c35
CACTVS 3.385CCCN1CC[C@@]23[C@H]4Oc5c(O)ccc(C[C@H]1[C@]2(O)CC[C@H]4N)c35
OpenEye OEToolkits 2.0.7CCCN1CCC23c4c5ccc(c4OC2C(CCC3(C1C5)O)N)O
OpenEye OEToolkits 2.0.7CCCN1CC[C@@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@]3([C@@H]1C5)O)N)O
FormulaC19 H26 N2 O3
Name6beta-amino-17-propyl-5alpha,9alpha,13alpha-4,5-epoxymorphinan-3,14-diol
ChEMBL
DrugBank
ZINC
PDB chain8feg Chain A Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8feg Cryo-EM structure of KOR bound to G protein complex and a peptide ligand
Resolution2.54 Å
Binding residue
(original residue number in PDB)		D138 V230 I290 I294 Y312 I316 Y320
Binding residue
(residue number reindexed from 1)		D83 V169 I229 I233 Y251 I255 Y259
Annotation score1
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:0038048 dynorphin receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8feg, PDBe:8feg, PDBj:8feg
PDBsum8feg
PubMed38052802
UniProtP41145|OPRK_HUMAN Kappa-type opioid receptor (Gene Name=OPRK1)

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