Calcium in PDB 1tlo: High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64

All present enzymatic activity of High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64:
3.4.22.52;

The structure of High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64, PDB code: 1tlo was solved by T.Moldoveanu, R.L.Campbell, D.Cuerrier, P.L.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.520, 69.760, 108.960, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 27.2

The binding sites of Calcium atom in the High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64 (pdb code 1tlo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64, PDB code: 1tlo:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca365 b:25.6 occ:1.00 OD2 A:ASP106 2.4 26.2 1.0 OE2 A:GLU185 2.4 23.2 1.0 O A:HOH401 2.4 28.7 1.0 O A:VAL99 2.5 28.9 1.0 O A:GLY101 2.5 26.1 1.0 O A:HOH412 2.5 29.9 1.0 OD1 A:ASP106 2.5 24.8 1.0 OE1 A:GLU185 2.6 26.5 1.0 CG A:ASP106 2.8 25.9 1.0 CD A:GLU185 2.9 23.7 1.0 C A:VAL99 3.6 29.7 1.0 C A:GLY101 3.7 26.8 1.0 O A:ASP100 3.9 31.3 1.0 N A:VAL99 4.1 27.9 1.0 C A:ASP100 4.2 31.1 1.0 CB A:ASP106 4.2 25.5 1.0 N A:THR103 4.3 27.0 1.0 CA A:VAL99 4.4 29.3 1.0 CG A:GLU185 4.4 23.9 1.0 OG1 A:THR103 4.4 28.4 1.0 CA A:ALA102 4.5 25.9 1.0 N A:GLY101 4.5 29.3 1.0 N A:ALA102 4.5 25.6 1.0 NE1 A:TRP187 4.6 22.2 1.0 N A:ASP100 4.6 30.6 1.0 CB A:VAL99 4.6 29.6 1.0 CA A:GLY101 4.7 27.7 1.0 CB A:ASP100 4.7 34.0 1.0 CA A:ASP100 4.8 31.8 1.0 OG A:SER180 4.8 26.9 1.0 C A:ALA102 4.9 26.6 1.0

Calcium binding site 2 out of 2 in the High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High Resolution Crystal Structure of Calpain I Protease Core in Complex with E64 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca366 b:30.1 occ:1.00 O A:HOH415 2.2 27.8 1.0 OE2 A:GLU302 2.3 31.0 1.0 O A:GLU333 2.3 27.5 1.0 OD1 A:ASP309 2.4 38.3 1.0 O A:MET329 2.4 42.9 1.0 OE1 A:GLU302 2.4 31.6 1.0 OD1 A:ASP331 2.5 35.1 1.0 CD A:GLU302 2.7 30.6 1.0 CG A:ASP309 3.1 39.7 1.0 OD2 A:ASP309 3.2 39.4 1.0 C A:GLU333 3.5 28.9 1.0 CG A:ASP331 3.5 36.6 1.0 C A:MET329 3.7 43.7 1.0 N A:GLU333 3.9 29.6 1.0 N A:ASP331 4.0 37.6 1.0 OD2 A:ASP331 4.0 36.8 1.0 CG A:GLU302 4.2 31.0 1.0 O A:VAL327 4.2 43.0 1.0 CA A:GLU333 4.2 29.4 1.0 N A:MET329 4.3 44.8 1.0 N A:GLY332 4.4 32.5 1.0 O A:HOH439 4.4 33.3 1.0 CA A:MET329 4.5 44.5 1.0 CB A:ASP309 4.6 39.8 1.0 N A:PHE334 4.6 27.1 1.0 N A:GLU330 4.6 42.4 1.0 CA A:GLU330 4.6 41.5 1.0 CB A:ASP331 4.7 36.1 1.0 CB A:GLU333 4.7 31.5 1.0 CA A:ASP331 4.8 35.5 1.0 CA A:PHE334 4.8 26.4 1.0 C A:GLY332 4.8 30.5 1.0 C A:GLU330 4.9 39.9 1.0 CB A:PHE334 4.9 25.9 1.0 C A:ASP331 4.9 34.2 1.0 CB A:GLU302 5.0 31.6 1.0

T.Moldoveanu, R.L.Campbell, D.Cuerrier, P.L.Davies. Crystal Structures of Calpain-E64 and -Leupeptin Inhibitor Complexes Reveal Mobile Loops Gating the Active Site J.Mol.Biol. V. 343 1313 2004.
ISSN: ISSN 0022-2836
PubMed: 15491615
DOI: 10.1016/J.JMB.2004.09.016