Calcium 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:

Bromine

(Br)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of Cavab(W195Y) in Complex with Br-Dihydropyridine Derivative Uk-59811, PDB code: 5klg:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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 A:Ca1301 b:41.5 occ:1.00 CG C:ASP1178 3.7 58.3 1.0 CB C:ASP1178 3.8 57.6 1.0 OD2 C:ASP1178 3.8 55.2 1.0 CB A:ASP1178 3.8 63.1 1.0 OD1 D:ASP1178 3.9 60.8 1.0 CA D:CA1301 4.0 83.8 1.0 CA C:ASP1178 4.1 54.6 1.0 CG A:ASP1178 4.1 77.4 1.0 CG D:ASP1178 4.2 61.6 1.0 OD1 A:ASP1177 4.2 36.9 1.0 OD1 C:ASP1178 4.2 57.9 1.0 OD2 B:ASP1178 4.2 66.8 1.0 CB D:ASP1178 4.2 53.9 1.0 OD1 A:ASP1178 4.3 76.1 1.0 CA A:ASP1178 4.4 56.4 1.0 CB B:ASP1178 4.4 59.6 1.0 CA D:ASP1178 4.5 48.5 1.0 N A:ASP1178 4.6 60.1 1.0 N C:ASP1178 4.6 43.6 1.0 CG B:ASP1178 4.6 63.1 1.0 OD2 A:ASP1178 4.7 85.3 1.0 CA B:ASP1178 4.8 55.1 1.0 N D:ASP1178 4.9 40.1 1.0 OD2 D:ASP1178 4.9 61.4 1.0 OD2 B:ASP1177 5.0 36.6 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca1301 b:83.8 occ:1.00 N D:ASP1178 2.9 40.1 1.0 O D:LEU1176 3.5 37.2 1.0 OD1 C:ASP1177 3.6 45.0 1.0 CA D:ASP1178 3.7 48.5 1.0 CA D:ASP1177 3.8 41.7 1.0 C D:ASP1177 3.8 38.1 1.0 OD1 D:ASP1177 3.9 44.6 1.0 CA A:CA1301 4.0 41.5 1.0 N C:ASP1178 4.2 43.6 1.0 C D:LEU1176 4.4 42.8 1.0 CB D:ASP1178 4.5 53.9 1.0 OD1 A:ASP1177 4.5 36.9 1.0 N D:ASP1177 4.6 51.3 1.0 CA C:ASP1177 4.6 37.5 1.0 CG C:ASP1177 4.8 47.6 1.0 C C:ASP1177 4.8 40.7 1.0 C D:ASP1178 4.8 42.9 1.0 CG D:ASP1177 4.8 42.2 1.0 CB D:ASP1177 4.9 38.6 1.0 N D:TRP1179 4.9 46.7 1.0 O D:ASP1177 4.9 37.9 1.0 CA C:ASP1178 5.0 54.6 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