7FEE: Cannabinoid receptor 1,GlgA glycogen synthase

Crystal structure of the allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1. Determined by X-ray diffraction at 2.7 Å resolution. Released 15 Jun 2022.

Method: X-ray diffraction
Resolution: 2.7 Å
Organisms: Homo sapiens, Pyrococcus abyssi GE5
Chains: 1
Atoms: 4,060
Mol. weight: 67.5 kDa
Ligands: CLR, 7IC, OLC, OLA
Released: 15 Jun 2022

Explore 7FEE in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7FEE contains 25 α-helices and 10 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 25 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	105-108	4
α-helix	113-142	30
α-helix	145-148	4
α-helix	151-178	28
α-helix	186-219	34
α-helix	230-249	20
α-helix	257-260	4
α-helix	263	1
β-strand	264	1	1
α-helix	265	1
β-strand	272	1	1
α-helix	273-302	30
α-helix	1009-1011	3
α-helix	1016-1026	11
β-strand	1033-1038	6	2
β-strand	1041	1	3
α-helix	1048-1059	12
α-helix	1062-1066	5
β-strand	1067-1072	6	2
β-strand	1075	1	3
α-helix	1077-1090	14
β-strand	1093-1096	4	2
α-helix	1106-1111	6
β-strand	1114-1117	4	2
α-helix	1126-1132	7
α-helix	1136	1
β-strand	1137-1141	5	2
α-helix	1145-1149	5
β-strand	1156-1158	3	2
α-helix	1163-1178	16
α-helix	1182-1185	4
α-helix	1187-367	45
α-helix	373-382	10
α-helix	385-400	16
α-helix	402-411	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cannabinoid receptor 1,GlgA glycogen synthase	A	protein	559	Homo sapiens, Pyrococcus abyssi GE5	P21554 (AlphaFold model), Q9V2J8 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7FEE_1 Cannabinoid receptor 1,GlgA glycogen synthase (chains A)
MKTIIALSYIFCLVFADYKDDDDAMDQVNITEFYNKSLSSFENLYFQGKENEENIQCGEN
FMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAV
ADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTAKVGSLFLAAIDRYISIHRP
LAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDKTYLMFWIG
VVSVLLLFIVYAYMYILWKAHSHAGIDCSFWNESYLTGSRDERKKSLLSKFGMDEGVTFM
FIGRFDRGQKGVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEGWARSLEEKHGNVKVI
TEMLSREFVRELYGSVDFVIIPSYFEPFGLVALEAMCLGAIPIASAVGGLRDIITNETGI
LVKAGDPGELANAILKALELSRSDLSKFRENCKKRAMSFSDQARMDIELAKTLVLILVVL
IICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVDPIIYALRSKDLRHAFRSMF
PSENLYFQGHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
CLR	Cholesterol	C27 H46 O	2
7IC	6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole	C21 H18 N2 O2 S	1
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	2
OLA	Oleic acid	C18 H34 O2	4
9GF	2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)ph…	C24 H40 O3	1

Water and common crystallization additives (PEG, GOL) are not listed.

Primary citation

Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1. Yang, X., Wang, X., Xu, Z. et al. Nat Chem Biol (2022) 18:831-840. DOI 10.1038/s41589-022-01038-y · PubMed

Other PDB entries of the same protein (UniProt P21554 (AlphaFold model), which also has an AlphaFold model), best resolution first:

23IV 2.42 Å, Cannabinoid Receptor 1-Gi Complex
23IW 2.42 Å, Cannabinoid Receptor 1-Gi Complex
5U09 2.6 Å, High-resolution crystal structure of the human CB1 cannabinoid receptor
5TGZ 2.8 Å, Crystal Structure of the Human Cannabinoid Receptor CB1
5XRA 2.8 Å, Crystal structure of the human CB1 in complex with agonist AM11542
8GHV 2.8 Å, Cannabinoid Receptor 1-G Protein Complex
9B54 2.86 Å, Biased agonist bound CB1-Gi structure
8K8J 2.88 Å, Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex
9ERX 2.9 Å, Structural basis of D9-THC analog activity at the Cannabinoid 1 receptor
5XR8 2.95 Å, Crystal structure of the human CB1 in complex with agonist AM841
6KPG 3.0 Å, Cryo-EM structure of CB1-G protein complex
6N4B 3.0 Å, Cannabinoid Receptor 1-G Protein Complex

Browse structure collections

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