Calcium 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:

Bromine

(Br)

1 atom

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811, PDB code: 5kls:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca1301 b:47.2 occ:1.00 OD1 C:ASP1178 2.8 63.1 1.0 CG C:ASP1178 3.0 66.5 1.0 CB C:ASP1178 3.2 63.0 1.0 CB A:ASP1178 3.5 71.3 1.0 OD2 C:ASP1178 3.6 69.8 1.0 CA C:ASP1178 3.7 56.0 1.0 CG A:ASP1178 3.8 85.6 1.0 OD2 A:ASP1178 4.0 93.5 1.0 OD1 D:ASP1178 4.0 81.2 1.0 CA D:CA1301 4.1 79.8 1.0 OD1 A:ASP1177 4.1 44.4 1.0 OD1 B:ASP1178 4.1 53.6 1.0 CA A:ASP1178 4.3 57.6 1.0 N C:ASP1178 4.4 46.5 1.0 OD1 A:ASP1178 4.4 86.0 1.0 CG B:ASP1178 4.4 53.5 1.0 CB D:ASP1178 4.4 68.0 1.0 CG D:ASP1178 4.5 77.1 1.0 N A:ASP1178 4.6 58.3 1.0 CB B:ASP1178 4.6 48.4 1.0 CA B:ASP1178 4.7 47.7 1.0 OD1 D:ASP1177 5.0 32.5 1.0

Calcium binding site 2 out of 2 in the Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Cavab in Complex with Br-Dihydropyridine Derivative Uk- 59811 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1301 b:79.8 occ:1.00 N D:ASP1178 3.7 60.6 1.0 OD1 D:ASP1177 3.7 32.5 1.0 OD1 B:ASP1177 3.8 62.0 1.0 N B:ASP1178 3.9 48.7 1.0 CA C:CA1301 4.1 47.2 1.0 CA D:ASP1177 4.4 61.3 1.0 OD1 A:ASP1177 4.4 44.4 1.0 CA D:ASP1178 4.4 55.9 1.0 O B:LEU1176 4.5 35.9 1.0 C D:ASP1177 4.5 64.0 1.0 CA B:ASP1177 4.5 55.2 1.0 O D:LEU1176 4.6 54.9 1.0 N A:ASP1178 4.6 58.3 1.0 CA B:ASP1178 4.8 47.7 1.0 OD1 C:ASP1177 4.8 53.2 1.0 N C:ASP1178 4.8 46.5 1.0 C B:ASP1177 4.8 55.1 1.0 CG D:ASP1177 4.8 38.0 1.0 CB D:ASP1178 4.9 68.0 1.0 CG B:ASP1177 4.9 59.6 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