Calcium in PDB 7x79: The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B

All present enzymatic activity of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B:
3.4.22.52;

The structure of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B, PDB code: 7x79 was solved by Y.Zhao, J.Zhao, M.Shao, H.Yang, Z.Rao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.79 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.203, 64.07, 99.576, 90, 90, 90
R / Rfree (%)	16.6 / 20.2

The binding sites of Calcium atom in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B (pdb code 7x79). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B, PDB code: 7x79:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:19.0 occ:1.00 O A:VAL99 2.3 22.8 1.0 OD2 A:ASP106 2.4 18.1 1.0 O A:HOH1041 2.4 20.4 1.0 O A:GLY101 2.4 19.9 1.0 O A:HOH952 2.4 22.5 1.0 OE2 A:GLU185 2.5 20.4 1.0 OE1 A:GLU185 2.5 20.3 1.0 OD1 A:ASP106 2.6 20.1 1.0 CG A:ASP106 2.8 22.2 1.0 CD A:GLU185 2.9 20.1 1.0 C A:VAL99 3.5 18.9 1.0 C A:GLY101 3.7 20.4 1.0 O A:ASP100 4.0 22.2 1.0 O A:HOH931 4.1 30.4 1.0 N A:VAL99 4.1 21.2 1.0 C A:ASP100 4.1 22.1 1.0 CB A:ASP106 4.2 16.2 1.0 CA A:VAL99 4.3 23.0 1.0 CG A:GLU185 4.4 18.2 1.0 N A:GLY101 4.4 23.3 1.0 N A:THR103 4.4 18.0 1.0 OG1 A:THR103 4.4 20.5 1.0 O A:HOH1132 4.4 31.8 1.0 NE1 A:TRP187 4.5 16.4 1.0 N A:ASP100 4.5 22.7 1.0 CB A:VAL99 4.5 22.2 1.0 N A:ALA102 4.6 16.8 1.0 CA A:ALA102 4.6 17.3 1.0 CA A:GLY101 4.6 21.0 1.0 CA A:ASP100 4.7 25.3 1.0 CB A:ASP100 4.7 23.8 1.0 OG A:SER180 4.8 22.7 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14B within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca804 b:19.2 occ:1.00 O A:GLU333 2.3 17.7 1.0 OD2 A:ASP309 2.4 20.9 1.0 O A:MET329 2.4 19.5 1.0 O A:HOH972 2.4 20.8 1.0 OE1 A:GLU302 2.4 17.6 1.0 OE2 A:GLU302 2.5 18.9 1.0 OD1 A:ASP331 2.5 19.4 1.0 CD A:GLU302 2.8 21.5 1.0 CG A:ASP309 3.1 23.4 1.0 OD1 A:ASP309 3.1 20.7 1.0 C A:GLU333 3.5 15.9 1.0 CG A:ASP331 3.5 23.9 1.0 C A:MET329 3.6 24.2 1.0 N A:GLU333 3.9 16.4 1.0 OD2 A:ASP331 3.9 21.4 1.0 N A:ASP331 4.0 23.3 1.0 O A:VAL327 4.1 23.3 1.0 CA A:GLU333 4.2 17.9 1.0 CG A:GLU302 4.3 18.4 1.0 N A:MET329 4.3 21.4 1.0 O A:HOH989 4.4 26.3 1.0 CA A:MET329 4.5 23.9 1.0 CB A:ASP309 4.5 19.9 1.0 N A:PHE334 4.5 16.3 1.0 N A:GLU330 4.5 21.4 1.0 CA A:GLU330 4.5 28.1 1.0 O A:HOH1140 4.6 25.2 1.0 N A:GLY332 4.6 18.9 1.0 CB A:GLU333 4.7 15.6 1.0 CB A:ASP331 4.7 22.8 1.0 CA A:PHE334 4.7 14.8 1.0 O A:HOH1048 4.7 19.4 1.0 CA A:ASP331 4.7 21.7 1.0 C A:GLU330 4.8 27.7 1.0 CB A:PHE334 4.8 15.5 1.0 C A:GLY332 4.9 16.7 1.0 O A:HOH1089 4.9 24.7 1.0 C A:ASP331 4.9 22.3 1.0 CB A:MET329 5.0 20.5 1.0

Y.Zhao, J.Zhao, M.Shao, H.Yang, Z.Rao. The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A To Be Published.