Bromine in PDB 6oba: The BETA2 Adrenergic Receptor Bound to A Negative Allosteric Modulator

All present enzymatic activity of The BETA2 Adrenergic Receptor Bound to A Negative Allosteric Modulator:
3.2.1.17;

The structure of The BETA2 Adrenergic Receptor Bound to A Negative Allosteric Modulator, PDB code: 6oba was solved by X.Liu, A.Stobel, J.Kaindl, D.Dengler, M.Clark, J.Mahoney, M.Korczynska, R.A.Matt, H.Hubner, X.Xu, M.Stanek, K.Hirata, B.Shoichet, R.Sunahara, R.Gmeiner, B.K.Kobilka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 3.10
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 (%)	25.1 / 27.7

The binding sites of Bromine atom in the The BETA2 Adrenergic Receptor Bound to A Negative Allosteric Modulator (pdb code 6oba). 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 The BETA2 Adrenergic Receptor Bound to A Negative Allosteric Modulator, PDB code: 6oba:

Bromine binding site 1 out of 1 in the The BETA2 Adrenergic Receptor Bound to A Negative Allosteric Modulator


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The BETA2 Adrenergic Receptor Bound to A Negative Allosteric Modulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1204 b:70.8 occ:0.79 BR1 A:M3J1204 0.0 70.8 0.8 C16 A:M3J1204 1.9 70.5 0.8 C18 A:M3J1204 2.9 69.9 0.8 C15 A:M3J1204 2.9 70.9 0.8 CG1 A:VAL210 4.0 71.5 1.0 CG1 A:VAL206 4.1 72.9 1.0 C14 A:M3J1204 4.2 70.8 0.8 C19 A:M3J1204 4.2 69.8 0.8 CG2 A:VAL210 4.3 72.0 1.0 CB A:VAL210 4.4 71.4 1.0 CA A:VAL206 4.5 74.8 1.0 CG2 A:VAL206 4.6 73.0 1.0 O A:VAL206 4.6 74.1 1.0 CB A:VAL206 4.6 72.5 1.0 C13 A:M3J1204 4.7 70.3 0.8

X.Liu, A.Stobel, J.Kaindl, D.Dengler, M.Clark, J.Mahoney, M.Korczynska, R.A.Matt, H.Hubner, X.Xu, M.Stanek, K.Hirata, B.Shoichet, R.Sunahara, R.Gmeiner, B.K.Kobilka. Discovery of An Allosteric Modulator Binding to A Conformational Hub in the BETA2 Adrenergic Receptor To Be Published.