Calcium in PDB 6juh: Structure of Cavab in Complex with Efonidipine

The structure of Structure of Cavab in Complex with Efonidipine, PDB code: 6juh was solved by L.Tang, F.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.82 / 3.00
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	124.860, 125.520, 191.420, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 29.1

The binding sites of Calcium atom in the Structure of Cavab in Complex with Efonidipine (pdb code 6juh). 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 Efonidipine, PDB code: 6juh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Cavab in Complex with Efonidipine


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 Efonidipine within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1301 b:97.9 occ:1.00 CA C:CA1301 3.5 56.5 1.0 N B:ASP1178 3.8 54.6 1.0 OD1 A:ASP1177 4.1 56.0 1.0 OD1 B:ASP1177 4.3 43.3 1.0 N A:ASP1178 4.3 54.8 1.0 OD1 C:ASP1177 4.4 48.7 1.0 N C:ASP1178 4.4 50.3 1.0 CA B:ASP1178 4.5 64.0 1.0 N D:ASP1178 4.6 66.8 1.0 OD1 D:ASP1177 4.6 60.5 1.0 O B:LEU1176 4.6 42.7 1.0 CA B:ASP1177 4.6 38.2 1.0 O A:LEU1176 4.7 69.7 1.0 C B:ASP1177 4.7 48.1 1.0 O C:LEU1176 4.9 45.6 1.0 CB B:ASP1178 4.9 73.5 1.0 CA A:ASP1178 4.9 61.2 1.0 CA A:ASP1177 5.0 47.5 1.0

Calcium binding site 2 out of 2 in the Structure of Cavab in Complex with Efonidipine


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 Efonidipine within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1301 b:56.5 occ:1.00 CA B:CA1301 3.5 97.9 1.0 OD1 D:ASP1178 3.6 74.6 1.0 OD1 C:ASP1178 3.6 88.8 1.0 OD1 A:ASP1178 3.9 69.9 1.0 CG C:ASP1178 3.9 76.4 1.0 CG D:ASP1178 4.0 73.4 1.0 CB B:ASP1178 4.0 73.5 1.0 CB C:ASP1178 4.0 60.3 1.0 CB D:ASP1178 4.2 73.8 1.0 CG A:ASP1178 4.3 63.5 1.0 CA C:ASP1178 4.3 53.6 1.0 CG B:ASP1178 4.4 78.2 1.0 CB A:ASP1178 4.4 63.6 1.0 CA D:ASP1178 4.5 71.1 1.0 CA B:ASP1178 4.6 64.0 1.0 OD1 B:ASP1178 4.6 86.0 1.0 N C:ASP1178 4.6 50.3 1.0 OD2 C:ASP1178 4.6 71.7 1.0 OD2 D:ASP1178 4.7 75.7 1.0 CA A:ASP1178 4.7 61.2 1.0 OD1 C:ASP1177 4.8 48.7 1.0 N D:ASP1178 4.8 66.8 1.0 N B:ASP1178 4.8 54.6 1.0 OD1 B:ASP1177 5.0 43.3 1.0 OD2 A:ASP1178 5.0 61.8 1.0

F.Xu, W.Xiong, Y.Huang, J.Shen, D.Zhou, L.Tang. Structural Basis For Efonidipine Block of A Voltage-Gated CA2+Channel. Biochem.Biophys.Res.Commun. V. 513 631 2019.
ISSN: ESSN 1090-2104
PubMed: 30981510
DOI: 10.1016/J.BBRC.2019.03.176