5XR8: Human CB1

Crystal structure of the human CB1 in complex with agonist AM841. Determined by X-ray diffraction at 2.95 Å resolution. Released 12 Jul 2017.

Method: X-ray diffraction
Resolution: 2.95 Å
Organisms: Homo sapiens, Desulfovibrio vulgaris (strain Hildenborough / ATCC 29579 / DSM 644 / NCIMB 8303)
Chains: 1
Atoms: 3,410
Mol. weight: 50.02 kDa
Ligands: CLR, 8D0, FMN
Released: 12 Jul 2017

Explore 5XR8 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5XR8 contains 19 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: 19 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	106-108	3
α-helix	113-145	33
α-helix	154-178	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	273-305	33
β-strand	307-313	7	2
α-helix	319-334	16
β-strand	336-342	7	2
β-strand	357-361	5	2
β-strand	364	1	3
β-strand	372	1	3
α-helix	376-381	6
α-helix	383-385	3
β-strand	393-399	7	2
α-helix	408-420	13
β-strand	424	1	2
α-helix	427-428	2
β-strand	429-432	4	2
α-helix	439-451	13
α-helix	461-489	29
α-helix	495-515	21
α-helix	516-520	5
α-helix	524-532	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1	A	protein	438	Homo sapiens, Desulfovibrio vulgaris (strain Hildenborough / ATCC 29579 / DSM 644 / NCIMB 8303)	P00323 (AlphaFold model), P21554 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5XR8_1 Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1 (chains A)
GENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGS
LAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLAAIDRYISI
HRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDKTYLMF
WIGVVSVLLLFIVYAYMYILWKAHSHAVAKALIVYGSTTGNTEYTAETIARELADAGYEV
DSRDAASVEAGGLFEGFDLVLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVACFGC
GDSSWEYFCGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAIPDQAR
MDIELAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPII
YALRSKDLRHAFRSMFPS

Ligands and cofactors

ID	Name	Formula	Copies
CLR	Cholesterol	C27 H46 O	1
8D0	(6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-oct…	C26 H39 N O3 S	1
FMN	Flavin mononucleotide	C17 H21 N4 O9 P	1

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

Primary citation

Crystal structures of agonist-bound human cannabinoid receptor CB1. Hua, T., Vemuri, K., Nikas, S.P. et al. Nature (2017) 547:468-471. DOI 10.1038/nature23272 · 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…

Browse structure collections

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