5XRA: Human CB1

Crystal structure of the human CB1 in complex with agonist AM11542. Determined by X-ray diffraction at 2.8 Å resolution. Released 12 Jul 2017.

Method: X-ray diffraction
Resolution: 2.8 Å
Organisms: Homo sapiens, Desulfovibrio vulgaris (strain Hildenborough / ATCC 29579 / DSM 644 / NCIMB 8303)
Chains: 1
Atoms: 3,461
Mol. weight: 51.3 kDa
Ligands: FMN, 8D3, OLA, OLC
Released: 12 Jul 2017

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

Secondary structure: helices and β-sheets

5XRA 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	105-108	4
α-helix	113-147	35
α-helix	154-178	25
α-helix	186-219	34
α-helix	224-227	4
α-helix	230-253	24
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	273-305	33
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	1071-1076	6
α-helix	1078-1081	4
β-strand	1087-1094	8	2
α-helix	1103-1115	13
β-strand	1118-1119	2	2
α-helix	1122-1123	2
β-strand	1124-1127	4	2
α-helix	1130-1133	4
α-helix	1134-1146	13
α-helix	339-368	30
α-helix	373-393	21
α-helix	394-398	5
α-helix	402-410	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

>5XRA_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
FMN	Flavin mononucleotide	C17 H21 N4 O9 P	1
8D3	(6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetra…	C25 H37 Br O2	1
OLA	Oleic acid	C18 H34 O2	2
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	2
CLR	Cholesterol	C27 H46 O	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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