Calcium in PDB 8gx3: The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14C

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

The structure of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14C, PDB code: 8gx3 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)	44.94 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.329, 64.14, 99.782, 90, 90, 90
R / Rfree (%)	17.3 / 21.5

The binding sites of Calcium atom in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14C (pdb code 8gx3). 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 14C, PDB code: 8gx3:
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 14C


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 14C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca802 b:21.0 occ:1.00 O A:VAL99 2.3 23.5 1.0 O A:GLY101 2.4 18.5 1.0 O A:HOH1008 2.4 21.0 1.0 OD2 A:ASP106 2.5 18.6 1.0 OE1 A:GLU185 2.5 23.1 1.0 OE2 A:GLU185 2.5 24.4 1.0 OD1 A:ASP106 2.6 21.4 1.0 OE2 A:GLU182 2.7 37.2 1.0 CD A:GLU185 2.8 24.6 1.0 CG A:ASP106 2.9 24.1 1.0 C A:VAL99 3.5 23.4 1.0 C A:GLY101 3.6 20.4 1.0 CD A:GLU182 3.8 53.1 1.0 N A:VAL99 4.0 24.2 1.0 O A:ASP100 4.1 21.5 1.0 C A:ASP100 4.1 21.7 1.0 OE1 A:GLU182 4.2 41.6 1.0 CA A:VAL99 4.2 25.9 1.0 N A:GLY101 4.3 22.4 1.0 CB A:ASP106 4.3 19.6 1.0 CG A:GLU185 4.4 18.2 1.0 N A:THR103 4.4 18.3 1.0 NE1 A:TRP187 4.4 18.5 1.0 OG1 A:THR103 4.5 22.2 1.0 N A:ALA102 4.5 18.4 1.0 CA A:ALA102 4.5 21.1 1.0 N A:ASP100 4.5 26.2 1.0 CB A:VAL99 4.5 27.7 1.0 O A:HOH1126 4.5 34.8 1.0 CA A:GLY101 4.6 21.9 1.0 CA A:ASP100 4.7 25.8 1.0 OG A:SER180 4.8 25.1 1.0 CB A:ASP100 4.9 28.5 1.0 CG A:GLU182 5.0 39.6 1.0

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


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 14C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:20.2 occ:1.00 O A:GLU333 2.3 15.5 1.0 OD2 A:ASP309 2.4 20.8 1.0 O A:MET329 2.4 22.1 1.0 O A:HOH961 2.4 23.1 1.0 OE2 A:GLU302 2.5 20.5 1.0 OD1 A:ASP331 2.6 20.7 1.0 OE1 A:GLU302 2.6 19.5 1.0 CD A:GLU302 2.9 23.3 1.0 CG A:ASP309 3.1 25.5 1.0 OD1 A:ASP309 3.2 20.0 1.0 CG A:ASP331 3.5 23.3 1.0 C A:GLU333 3.5 17.7 1.0 C A:MET329 3.6 25.4 1.0 OD2 A:ASP331 3.9 26.1 1.0 N A:GLU333 3.9 15.1 1.0 N A:ASP331 3.9 21.0 1.0 O A:VAL327 4.2 25.4 1.0 CA A:GLU333 4.3 17.8 1.0 O A:HOH1121 4.3 28.0 1.0 N A:MET329 4.3 22.1 1.0 CG A:GLU302 4.3 19.7 1.0 O A:HOH1038 4.4 25.2 1.0 CA A:MET329 4.5 26.8 1.0 N A:PHE334 4.5 17.0 1.0 N A:GLU330 4.5 25.9 1.0 N A:GLY332 4.5 20.8 1.0 CB A:ASP309 4.6 19.2 1.0 O A:HOH954 4.6 21.4 1.0 CA A:GLU330 4.6 26.1 1.0 CB A:ASP331 4.6 25.0 1.0 CA A:ASP331 4.7 21.0 1.0 CA A:PHE334 4.7 18.5 1.0 CB A:GLU333 4.8 17.2 1.0 C A:GLU330 4.8 24.7 1.0 CB A:PHE334 4.8 16.5 1.0 CB A:MET329 4.8 27.7 1.0 C A:ASP331 4.9 21.3 1.0 C A:GLY332 4.9 20.7 1.0 O A:HOH1062 5.0 24.0 1.0

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