› 3zpq

X-ray diffraction
2.8Å resolution

Thermostabilised turkey beta1 adrenergic receptor with 4-(piperazin-1- yl)-1H-indole bound (compound 19)

Released:
DOI: 10.2210/pdb3zpq/pdb
PDB entry 3zpq coloured by chain, front view.
PDB entry 3zpq coloured by chain, side view.
PDB entry 3zpq coloured by chain, top view.
Source organism: Meleagris gallopavo
Primary publication:
Biophysical fragment screening of the β1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design.
Christopher JA, Brown J, Doré AS, Errey JC, Koglin M, Marshall FH, Myszka DG, Rich RL, Tate CG, Tehan B, Warne T, Congreve M
OpenAccess logo J Med Chem 56 3446-55 (2013)
PMID: 23517028

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139703 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-1 adrenergic receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 315 amino acids
Theoretical weight: 35.94 KDa
Source organism: Meleagris gallopavo
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P07700 (Residues: 33-368; Coverage: 64%)
Gene name: ADRB1
Sequence domains: 7 transmembrane receptor (rhodopsin family)
Structure domains: Rhodopsin 7-helix transmembrane proteins

Ligands and Environments

4 bound ligands:
Ligand Y01 4 x Y01
Ligand 2CV 9 x 2CV
Ligand XF5 2 x XF5
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P21
Unit cell:
a: 89.852Å b: 61.441Å c: 100.784Å
α: 90° β: 108.89° γ: 90°
R-values:
R R work R free
0.223 0.22 0.274
Expression system: Trichoplusia ni

Quick links

Citations

26 review citations

Twenty years on: the impact of fragments on drug discovery.
Erlanson et al. (2016)
25 more

16 mentions without citation

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
15 more