Bromine in PDB 5kls: Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811

The structure of Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811, PDB code: 5kls was solved by L.Tang, T.M.Gamal El-Din, T.M.Swanson, D.C.Pryde, T.Scheuer, N.Zheng, W.A.Catterall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 3.30
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	125.470, 125.870, 191.705, 90.00, 90.00, 90.00
R / Rfree (%)	27.4 / 30

The structure of Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Bromine atom in the Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811 (pdb code 5kls). 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 Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811, PDB code: 5kls:

Bromine binding site 1 out of 1 in the Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br1304 b:0.4 occ:1.00 BRAG C:6UC1304 0.0 0.4 1.0 CAZ C:6UC1304 1.9 0.6 1.0 CAJ C:6UC1304 2.7 0.2 1.0 CBA C:6UC1304 3.0 0.1 1.0 CBB C:6UC1304 3.8 0.1 1.0 CAX C:6UC1304 4.0 0.2 1.0 C C:GLY1164 4.0 58.5 1.0 CAH C:6UC1304 4.0 0.5 1.0 NE1 B:TRP1195 4.1 62.9 1.0 CA C:GLY1164 4.1 67.7 1.0 O C:GLY1164 4.1 56.1 1.0 CAK C:6UC1304 4.2 0.8 1.0 OAE C:6UC1304 4.3 91.0 1.0 N C:GLU1165 4.4 58.1 1.0 CD1 B:TRP1195 4.6 59.9 1.0 CAU C:6UC1304 4.6 95.4 1.0 CAI C:6UC1304 4.6 0.9 1.0 CE2 B:TRP1195 4.7 63.1 1.0 CAT C:6UC1304 4.9 0.3 1.0 CA C:GLU1165 5.0 67.3 1.0

L.Tang, T.M.El-Din, T.M.Swanson, D.C.Pryde, T.Scheuer, N.Zheng, W.A.Catterall. Structural Basis For Inhibition of A Voltage-Gated Ca(2+) Channel By Ca(2+) Antagonist Drugs. Nature V. 537 117 2016.
ISSN: ESSN 1476-4687
PubMed: 27556947
DOI: 10.1038/NATURE19102