Bromine in PDB 5x7d: Structure of BETA2 Adrenoceptor Bound to Carazolol and An Intracellular Allosteric Antagonist

The structure of Structure of BETA2 Adrenoceptor Bound to Carazolol and An Intracellular Allosteric Antagonist, PDB code: 5x7d was solved by X.Liu, S.Ahn, A.W.Kahsai, K.-C.Meng, N.R.Latorraca, B.Pani, A.J.Venkatakrishnan, A.Masoudi, W.I.Weis, R.O.Dror, X.Chen, R.J.Lefkowitz, B.K.Kobilka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.460, 75.710, 173.410, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 26.8

The binding sites of Bromine atom in the Structure of BETA2 Adrenoceptor Bound to Carazolol and An Intracellular Allosteric Antagonist (pdb code 5x7d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of BETA2 Adrenoceptor Bound to Carazolol and An Intracellular Allosteric Antagonist, PDB code: 5x7d:

Bromine binding site 1 out of 1 in the Structure of BETA2 Adrenoceptor Bound to Carazolol and An Intracellular Allosteric Antagonist


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of BETA2 Adrenoceptor Bound to Carazolol and An Intracellular Allosteric Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1205 b:0.1 occ:0.82 BR1 A:8VS1205 0.0 0.1 0.8 CBO A:8VS1205 1.9 79.5 0.8 CBP A:8VS1205 2.9 74.8 0.8 CBN A:8VS1205 2.9 73.2 0.8 O A:ASP331 3.9 68.8 1.0 CG A:LEU64 4.0 62.3 1.0 CG A:PHE61 4.1 60.5 1.0 CBM A:8VS1205 4.2 71.2 0.8 CBK A:8VS1205 4.2 73.9 0.8 CB A:PHE61 4.2 56.4 1.0 CD1 A:PHE61 4.2 66.5 1.0 CD2 A:LEU64 4.3 61.1 1.0 CD1 A:LEU64 4.3 55.9 1.0 CB A:ALA335 4.3 61.4 1.0 CD2 A:PHE61 4.5 66.9 1.0 CB A:ARG63 4.6 67.8 1.0 CBL A:8VS1205 4.7 75.9 0.8 CE1 A:PHE61 4.8 68.7 1.0 CA A:ALA335 4.8 66.5 1.0 CD A:ARG63 4.8 86.8 1.0 C A:ASP331 4.9 64.6 1.0 N A:ALA335 5.0 66.8 1.0

X.Liu, S.Ahn, A.W.Kahsai, K.C.Meng, N.R.Latorraca, B.Pani, A.J.Venkatakrishnan, A.Masoudi, W.I.Weis, R.O.Dror, X.Chen, R.J.Lefkowitz, B.K.Kobilka. Mechanism of Intracellular Allosteric Beta 2AR Antagonist Revealed By X-Ray Crystal Structure. Nature V. 548 480 2017.
ISSN: ESSN 1476-4687
PubMed: 28813418
DOI: 10.1038/NATURE23652