Calcium in PDB 7c53: Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1

The structure of Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1, PDB code: 7c53 was solved by Y.Zhu, X.Yang, F.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.06 / 2.28
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	133.815, 138.141, 71.461, 90, 90, 90
R / Rfree (%)	19.5 / 24.2

The binding sites of Calcium atom in the Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1 (pdb code 7c53). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1, PDB code: 7c53:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1101 b:82.4 occ:1.00 O D:HOH1206 2.0 36.4 1.0 OD2 D:ASP950 2.5 56.9 1.0 O A:HOH1102 2.7 51.6 1.0 OD1 D:ASP950 3.2 55.9 1.0 CG D:ASP950 3.2 51.6 1.0 OD2 A:ASP950 4.1 49.7 1.0 OD1 A:ASP950 4.2 43.9 1.0 CG A:ASP950 4.5 42.9 1.0 CA A:GLY946 4.6 31.6 1.0 CB D:ASP950 4.7 39.6 1.0 O D:GLY946 4.7 30.0 1.0 O A:GLY946 4.8 36.0 1.0 C A:GLY946 4.9 37.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Sars-Cov-2 HR1 Motif in Complex with Pan-Covs Inhibitor EK1 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca1101 b:97.7 occ:1.00 O E:HOH1206 2.5 71.9 1.0 O E:HOH1226 2.6 68.4 1.0 O E:LEU1033 2.7 51.3 1.0 OD1 E:ASP1032 2.9 75.2 1.0 OE1 E:GLU1035 3.0 92.9 1.0 OE2 E:GLU1035 3.1 94.8 1.0 CD E:GLU1035 3.4 92.5 1.0 CG E:ASP1032 3.6 71.1 1.0 OD2 E:ASP1032 3.8 74.9 1.0 C E:LEU1033 3.9 49.6 1.0 N E:LEU1033 4.6 54.1 1.0 C E:ASP1032 4.6 57.8 1.0 CA E:LYS1034 4.7 59.2 1.0 N E:LYS1034 4.7 55.0 1.0 CB E:ASP1032 4.8 63.6 1.0 O E:ASP1032 4.8 75.0 1.0 CA E:LEU1033 4.9 49.0 1.0 CG E:GLU1035 5.0 86.3 1.0

Y.Zhu, F.Sun. The Pan-Coronavirus Fusion Inhibitor EK1 Targeting the HR1 Domain of Sars-Cov-2 To Be Published.