5TGZ: Human Cannabinoid Receptor CB1

Crystal Structure of the Human Cannabinoid Receptor CB1. Determined by X-ray diffraction at 2.8 Å resolution. Released 2 Nov 2016.

Method: X-ray diffraction
Resolution: 2.8 Å
Organisms: Homo sapiens, Desulfovibrio vulgaris
Chains: 1
Atoms: 3,550
Mol. weight: 52.65 kDa
Ligands: ZDG, FMN, OLC, OLA
Released: 2 Nov 2016

Explore 5TGZ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5TGZ contains 22 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: 22 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	114	1
α-helix	115-119	5
α-helix	120-143	24
α-helix	145-148	4
α-helix	153-177	25
α-helix	186-219	34
α-helix	224-227	4
α-helix	230-253	24
α-helix	263	1
β-strand	264	1	1
α-helix	265	1
β-strand	272	1	1
α-helix	273-304	32
β-strand	1003-1009	7	2
α-helix	1014-1028	15
β-strand	1032-1037	6	2
α-helix	1038-1040	3
β-strand	1052-1057	6	2
β-strand	1059	1	3
β-strand	1067	1	3
α-helix	1072-1076	5
α-helix	1078-1080	3
β-strand	1087-1094	8	2
α-helix	1103-1114	12
β-strand	1118-1119	2	2
α-helix	1122-1123	2
β-strand	1124-1127	4	2
α-helix	1130-1133	4
α-helix	1134-1145	12
α-helix	333-367	35
α-helix	373-400	28
α-helix	402-410	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1	A	protein	452	Homo sapiens, Desulfovibrio vulgaris	P00323 (AlphaFold model), P21554 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5TGZ_1 Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1 (chains A)
GGGRGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYH
FIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLAAIDR
YISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDKT
YLMFWIGVVSVLLLFIVYAYMYILWKAHSHAVAKALIVYGSTTGNTEYTAETIARELADA
GYEVDSRDAASVEAGGLFEGFDLVLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVA
CFGCGDSSWEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAIP
DQARMDIELAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTV
NPIIYALRSKDLRHAFRSMFPSHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
ZDG	4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]p…	C26 H25 Cl2 N5 O4	1
FMN	Flavin mononucleotide	C17 H21 N4 O9 P	1
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	1
OLA	Oleic acid	C18 H34 O2	3

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

Primary citation

Crystal Structure of the Human Cannabinoid Receptor CB1. Hua, T., Vemuri, K., Pu, M. et al. Cell (2016) 167:750-762.e14. DOI 10.1016/j.cell.2016.10.004 · PubMed

Other PDB entries of the same protein (UniProt P00323 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5YOB 1.14 Å, Crystal Structure of flavodoxin without engineered disulfide bond
1F4P 1.3 Å, Y98W flavodoxin mutant 1.5A (D. Vulgaris)
1J8Q 1.35 Å, Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris Wild-type at 1.35…
5YOE 1.35 Å, Crystal Structure of flavodoxin with engineered disulfide bond A43C-L74C
5YOG 1.42 Å, Crystal Structure of flavodoxin with engineered disulfide bond N14C-C93
1J9E 1.44 Å, Low Temperature (100K) Crystal Structure of Flavodoxin D. vulgaris S35C Mutant at 1.44…
5YOC 1.5 Å, Crystal Structure of flavodoxin with engineered disulfide bond C102-R125C
1AKR 1.58 Å, G61A oxidized flavodoxin mutant
1WSW 1.69 Å, Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, dimer, semiquinone…
1XYY 1.7 Å, Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, homodimer, oxidised…
1AKW 1.75 Å, G61L oxidized flavodoxin mutant
1XYV 1.79 Å, Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, monomer, semiquinone…

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