5A8E: BETA1 adrenergic receptor

thermostabilised beta1-adrenoceptor with rationally designed inverse agonist 7-methylcyanopindolol bound. Determined by X-ray diffraction at 2.4 Å resolution. Released 30 Sept 2015.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: MELEAGRIS GALLOPAVO
Chains: 1
Atoms: 2,436
Mol. weight: 38.25 kDa
Ligands: XTK, MHA, OLC
Released: 30 Sept 2015

Explore 5A8E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5A8E contains 15 α-helices and 0 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: 15 helices, 0 β-strands

Element	Residues	Length
α-helix	37-67	31
α-helix	75-89	15
α-helix	90-94	5
α-helix	95-104	10
α-helix	110-144	35
α-helix	146-152	7
α-helix	155-178	24
α-helix	187-194	8
α-helix	205-212	8
α-helix	213-217	5
α-helix	218-239	22
α-helix	279-315	37
α-helix	317-319	3
α-helix	322-344	23
α-helix	347-353	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
BETA1 adrenergic receptor	A	protein	315	MELEAGRIS GALLOPAVO	P07700 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5A8E_1 BETA1 ADRENERGIC RECEPTOR (chains A)
MGAELLSQQWEAGMSLLMALVVLLIVAGNVLVIAAIGSTQRLQTLTNLFITSLACADLVV
GLLVVPFGATLVVRGTWLWGSFLCELWTSLDVLCVTASVWTLCVIAIDRYLAITSPFRYQ
SLMTRARAKVIICTVWAISALVSFLPIMMHWWRDEDPQALKCYQDPGCCDFVTNRAYAIA
SSIISFYIPLLIMIFVALRVYREAKEQIRKIDRASKRKTSRVMLMREHKALKTLGIIMGV
FTLCWLPFFLVNIVNVFNRDLVPDWLFVAFNWLGYANSAMNPIILCRSPDFRKAFKRLLA
FPRKADRRLHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
XTK	4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-7-methyl-1H-indole-2-carbonitrile	C17 H23 N3 O2	1
MHA	(carbamoylmethyl-carboxymethyl-amino)-acetic acid	C6 H10 N2 O5	1
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	5

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

Primary citation

Pharmacological Analysis and Structure Determination of 7-Methylcyanopindolol-Bound Beta1-Adrenergic Receptor. Sato, T., Baker, J., Warne, T. et al. Mol Pharmacol (2015) 88:1024. DOI 10.1124/MOL.115.101030 · PubMed

Other PDB entries of the same protein (UniProt P07700 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4BVN 2.1 Å, Ultra-thermostable beta1-adrenoceptor with cyanopindolol bound
4AMJ 2.3 Å, Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist…
2Y00 2.5 Å, Turkey BETA1 adrenergic receptor with stabilising mutations and bound partial agonist…
6H7N 2.5 Å, Activated turkey BETA1 adrenoceptor with bound partial agonist xamoterol and nanobody…
8DCS 2.5 Å, Cryo-EM structure of cyanopindolol-bound beta1-adrenergic receptor in complex with…
2Y01 2.6 Å, Turkey BETA1 adrenergic receptor with stabilising mutations and bound partial agonist…
2Y02 2.6 Å, Turkey BETA1 adrenergic receptor with stabilising mutations and bound agonist carmoterol
7JJO 2.6 Å, Structural Basis of the Activation of Heterotrimeric Gs-protein by Isoproterenol-bound…
8DCR 2.6 Å, Cryo-EM structure of dobutamine-bound beta1-adrenergic receptor in complex with…
2VT4 2.7 Å, Turkey BETA1 adrenergic receptor with stabilising mutations and bound cyanopindolol
3ZPR 2.7 Å, Thermostabilised turkey beta1 adrenergic receptor with 4-methyl-2-(piperazin-1-yl)…
6H7L 2.7 Å, Activated turkey BETA1 adrenoceptor with bound partial agonist dobutamine and nanobody…

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