Calcium in PDB 7w7o: The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A

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

The structure of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A, PDB code: 7w7o 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)	30.46 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.126, 63.98, 99.754, 90, 90, 90
R / Rfree (%)	16.3 / 19.5

The structure of The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Calcium atom in the The Crystal Structure of Human Calpain-1 Protease Core in Complex with 14A (pdb code 7w7o). 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 14A, PDB code: 7w7o:
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 14A


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 14A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca803 b:20.4 occ:1.00 O A:VAL99 2.3 22.2 1.0 O A:HOH1043 2.4 20.2 1.0 OD2 A:ASP106 2.4 16.2 1.0 O A:HOH1051 2.4 23.9 1.0 O A:GLY101 2.4 20.0 1.0 OE2 A:GLU185 2.5 20.2 1.0 OD1 A:ASP106 2.6 21.2 1.0 OE1 A:GLU185 2.6 21.5 1.0 CG A:ASP106 2.8 17.2 1.0 CD A:GLU185 2.9 20.2 1.0 C A:VAL99 3.5 19.8 1.0 C A:GLY101 3.7 20.1 1.0 O A:ASP100 4.1 24.1 1.0 C A:ASP100 4.1 20.2 1.0 N A:VAL99 4.2 20.7 1.0 O A:HOH971 4.2 35.5 1.0 CB A:ASP106 4.2 17.7 1.0 CA A:VAL99 4.3 25.3 1.0 CG A:GLU185 4.4 19.3 1.0 N A:GLY101 4.4 20.6 1.0 N A:THR103 4.4 17.8 1.0 O A:HOH1154 4.5 37.0 1.0 NE1 A:TRP187 4.5 16.0 1.0 N A:ASP100 4.5 21.8 1.0 OG1 A:THR103 4.5 22.3 1.0 CB A:VAL99 4.5 22.3 1.0 CA A:ALA102 4.6 17.5 1.0 N A:ALA102 4.6 18.1 1.0 CA A:GLY101 4.6 22.1 1.0 CA A:ASP100 4.7 24.9 1.0 CB A:ASP100 4.7 24.7 1.0 OG A:SER180 4.7 22.4 1.0 O A:HOH903 4.8 47.7 1.0

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


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 14A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca804 b:18.6 occ:1.00 O A:GLU333 2.3 16.0 1.0 O A:HOH978 2.3 22.5 1.0 OD2 A:ASP309 2.4 22.7 1.0 O A:MET329 2.4 21.2 1.0 OE2 A:GLU302 2.4 20.8 1.0 OD1 A:ASP331 2.5 19.4 1.0 OE1 A:GLU302 2.5 18.2 1.0 CD A:GLU302 2.8 21.2 1.0 CG A:ASP309 3.0 22.7 1.0 OD1 A:ASP309 3.1 22.7 1.0 CG A:ASP331 3.5 23.0 1.0 C A:GLU333 3.5 17.3 1.0 C A:MET329 3.6 23.3 1.0 OD2 A:ASP331 3.9 24.6 1.0 N A:GLU333 3.9 16.1 1.0 N A:ASP331 4.1 19.4 1.0 O A:VAL327 4.1 23.1 1.0 CA A:GLU333 4.2 15.3 1.0 N A:MET329 4.3 22.4 1.0 CG A:GLU302 4.3 19.5 1.0 O A:HOH975 4.4 32.6 1.0 CA A:MET329 4.5 22.9 1.0 N A:GLU330 4.5 21.8 1.0 O A:HOH1153 4.5 28.4 1.0 CB A:ASP309 4.5 21.2 1.0 N A:PHE334 4.5 16.0 1.0 CA A:GLU330 4.5 24.2 1.0 N A:GLY332 4.6 17.9 1.0 O A:HOH1000 4.6 21.3 1.0 CB A:ASP331 4.7 22.6 1.0 CA A:PHE334 4.7 15.2 1.0 CB A:GLU333 4.7 16.5 1.0 CA A:ASP331 4.8 20.4 1.0 CB A:PHE334 4.8 16.1 1.0 C A:GLU330 4.8 24.9 1.0 C A:GLY332 4.9 16.6 1.0 C A:ASP331 4.9 18.6 1.0 O A:HOH1073 5.0 25.5 1.0 CB A:MET329 5.0 21.8 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.