Calcium in PDB 6keb: Structure Basis For Diltiazem Block of A Voltage-Gated Calcium Channel

The structure of Structure Basis For Diltiazem Block of A Voltage-Gated Calcium Channel, PDB code: 6keb was solved by L.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.85 / 3.20
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	125.600, 125.630, 191.840, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 27.7

The binding sites of Calcium atom in the Structure Basis For Diltiazem Block of A Voltage-Gated Calcium Channel (pdb code 6keb). 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 Basis For Diltiazem Block of A Voltage-Gated Calcium Channel, PDB code: 6keb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure Basis For Diltiazem Block of A Voltage-Gated Calcium Channel


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure Basis For Diltiazem Block of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1301 b:52.9 occ:1.00 OD1 B:ASP1178 2.3 43.7 1.0 CG B:ASP1178 3.2 46.8 1.0 CB B:ASP1178 3.6 47.9 1.0 CB A:ASP1178 4.0 37.1 1.0 CA C:CA1301 4.0 62.6 1.0 CG A:ASP1178 4.2 53.8 1.0 OD1 A:ASP1178 4.2 49.9 1.0 OD2 B:ASP1178 4.2 39.4 1.0 CG D:ASP1178 4.3 40.3 1.0 CA B:ASP1178 4.3 40.0 1.0 OD2 D:ASP1178 4.4 40.3 1.0 O B:ASP1177 4.4 71.1 1.0 CA A:ASP1178 4.4 40.7 1.0 OD1 D:ASP1178 4.5 33.3 1.0 CB C:ASP1178 4.5 32.7 1.0 CB D:ASP1178 4.6 36.5 1.0 CA D:ASP1178 4.6 33.9 1.0 OD1 C:ASP1178 4.7 31.5 1.0 CG C:ASP1178 4.7 35.7 1.0 N A:ASP1178 4.7 47.4 1.0 CA C:ASP1178 4.9 39.5 1.0 OD2 A:ASP1178 4.9 67.8 1.0 N D:ASP1178 5.0 35.1 1.0 OD1 C:ASP1177 5.0 27.9 1.0

Calcium binding site 2 out of 2 in the Structure Basis For Diltiazem Block of A Voltage-Gated Calcium Channel


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure Basis For Diltiazem Block of A Voltage-Gated Calcium Channel within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1301 b:62.6 occ:1.00 N C:ASP1178 3.1 40.2 1.0 O C:LEU1176 3.2 46.1 1.0 CA C:ASP1177 3.6 35.8 1.0 OD1 C:ASP1177 3.8 27.9 1.0 C C:ASP1177 3.9 37.2 1.0 CA B:CA1301 4.0 52.9 1.0 CA C:ASP1178 4.1 39.5 1.0 C C:LEU1176 4.2 43.8 1.0 OD1 D:ASP1177 4.3 35.6 1.0 O B:ASP1177 4.3 71.1 1.0 N C:ASP1177 4.4 43.3 1.0 N D:ASP1178 4.5 35.1 1.0 CG C:ASP1177 4.6 29.0 1.0 CB C:ASP1177 4.6 34.4 1.0 O D:LEU1176 4.7 38.2 1.0 CA D:ASP1177 4.7 36.6 1.0 CB C:ASP1178 4.8 32.7 1.0 N A:ASP1178 4.8 47.4 1.0 O A:LEU1176 4.8 36.7 1.0 CG D:ASP1177 5.0 35.5 1.0

L.Tang, T.M.Gamal El-Din, M.J.Lenaeus, N.Zheng, W.A.Catterall. Structural Basis For Diltiazem Block of A Voltage-Gated CA2+Channel. Mol.Pharmacol. V. 96 485 2019.
ISSN: ESSN 1521-0111
PubMed: 31391290
DOI: 10.1124/MOL.119.117531