Structure of PDB 6pt0 Chain R Binding Site BS04

Receptor Information
>6pt0 Chain R (length=298) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYL
FIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASV
GSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMG
WTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVA
SLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLAT
TLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKK
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 chain6pt0 Chain R Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6pt0 Cryo-EM Structure of the Human Cannabinoid Receptor CB2-GiSignaling Complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		G210 L213 W214
Binding residue
(residue number reindexed from 1)		G189 L192 W193
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004949 cannabinoid receptor activity
GO:0005515 protein binding
Biological Process
GO:0001975 response to amphetamine
GO:0006954 inflammatory response
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:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0019222 regulation of metabolic process
GO:0030595 leukocyte chemotaxis
GO:0032229 negative regulation of synaptic transmission, GABAergic
GO:0032496 response to lipopolysaccharide
GO:0033004 negative regulation of mast cell activation
GO:0038171 cannabinoid signaling pathway
GO:0045759 negative regulation of action potential
GO:0099553 trans-synaptic signaling by endocannabinoid, modulating synaptic transmission
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030425 dendrite
GO:0031234 extrinsic component of cytoplasmic side of plasma membrane
GO:0042995 cell projection
GO:0043025 neuronal cell body
GO:0043204 perikaryon
GO:0045211 postsynaptic membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6pt0, PDBe:6pt0, PDBj:6pt0
PDBsum6pt0
PubMed32004460
UniProtP34972|CNR2_HUMAN Cannabinoid receptor 2 (Gene Name=CNR2)

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