Bromine in PDB 5klg: Structure of Cavab(W195Y) in Complex with Br-Dihydropyridine Derivative Uk-59811

The structure of Structure of Cavab(W195Y) in Complex with Br-Dihydropyridine Derivative Uk-59811, PDB code: 5klg 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)	29.94 / 3.30
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	125.915, 126.030, 192.120, 90.00, 90.00, 90.00
R / Rfree (%)	27.9 / 30.3

The structure of Structure of Cavab(W195Y) 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(W195Y) in Complex with Br-Dihydropyridine Derivative Uk-59811 (pdb code 5klg). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of Cavab(W195Y) in Complex with Br-Dihydropyridine Derivative Uk-59811, PDB code: 5klg:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structure of Cavab(W195Y) 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(W195Y) in Complex with Br-Dihydropyridine Derivative Uk-59811 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br1303 b:0.3 occ:1.00 BRAG C:6UC1303 0.0 0.3 1.0 CAZ C:6UC1303 2.0 0.2 1.0 CAJ C:6UC1303 2.8 0.1 1.0 CBA C:6UC1303 3.0 0.3 1.0 CBB C:6UC1303 3.4 0.8 1.0 OAE C:6UC1303 3.4 0.7 1.0 CAU C:6UC1303 3.7 0.9 1.0 CAX C:6UC1303 3.9 0.1 1.0 CAH C:6UC1303 4.2 0.5 1.0 CAK C:6UC1303 4.3 0.6 1.0 OAQ C:6UC1303 4.4 0.8 1.0 CAI C:6UC1303 4.7 0.5 1.0 CAY C:6UC1303 4.8 0.1 1.0 CG1 A:VAL1213 4.9 90.2 1.0 CG1 B:VAL1213 4.9 65.2 1.0

Bromine binding site 2 out of 2 in the Structure of Cavab(W195Y) 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 2 of Structure of Cavab(W195Y) in Complex with Br-Dihydropyridine Derivative Uk-59811 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br1305 b:0.2 occ:1.00 BRAG D:6UC1305 0.0 0.2 1.0 CAZ D:6UC1305 1.9 0.4 1.0 CAJ D:6UC1305 2.7 0.4 1.0 CBA D:6UC1305 3.0 0.9 1.0 CA C:GLY1164 3.7 86.4 1.0 CAY D:6UC1305 3.8 0.1 1.0 CBB D:6UC1305 3.8 0.0 1.0 OAF D:6UC1305 4.0 0.5 1.0 CAH D:6UC1305 4.0 0.0 1.0 CAK D:6UC1305 4.2 0.9 1.0 C C:GLY1164 4.3 78.6 1.0 CAW D:6UC1305 4.3 0.1 1.0 CAV D:6UC1305 4.4 0.7 1.0 OH D:TYR1195 4.4 83.6 1.0 CG2 C:THR1162 4.5 65.9 1.0 CAI D:6UC1305 4.6 0.5 1.0 N C:GLY1164 4.6 90.5 1.0 NAP D:6UC1305 4.7 0.8 1.0 N C:GLU1165 4.7 74.0 1.0 CE2 D:TYR1195 4.8 69.6 1.0 O C:GLY1164 4.8 72.2 1.0 CZ D:TYR1195 5.0 76.5 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