Magnesium in PDB 3e4c: Procaspase-1 Zymogen Domain Crystal Strucutre

All present enzymatic activity of Procaspase-1 Zymogen Domain Crystal Strucutre:
3.4.22.36;

The structure of Procaspase-1 Zymogen Domain Crystal Strucutre, PDB code: 3e4c was solved by J.M.Elliott, L.Rouge, C.Wiesmann, J.M.Scheer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.05
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	56.100, 58.004, 60.120, 105.95, 119.60, 92.77
R / Rfree (%)	20 / 26.3

The binding sites of Magnesium atom in the Procaspase-1 Zymogen Domain Crystal Strucutre (pdb code 3e4c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Procaspase-1 Zymogen Domain Crystal Strucutre, PDB code: 3e4c:

Magnesium binding site 1 out of 1 in the Procaspase-1 Zymogen Domain Crystal Strucutre


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Procaspase-1 Zymogen Domain Crystal Strucutre within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1 b:34.4 occ:1.00 O A:HOH466 1.9 30.1 1.0 O B:HOH440 2.0 35.3 1.0 O B:HOH414 2.0 35.9 1.0 O B:HOH435 2.0 26.8 1.0 OE2 B:GLU368 2.1 40.2 1.0 OE2 A:GLU368 3.1 44.3 1.0 CD B:GLU368 3.2 34.9 1.0 CG B:GLU368 3.7 21.7 1.0 CD A:GLU368 3.9 41.7 1.0 O B:HOH424 4.1 43.0 1.0 OD1 A:ASP365 4.1 27.2 1.0 O A:HOH443 4.2 34.1 1.0 OE2 A:GLU367 4.2 43.9 1.0 OD2 A:ASP365 4.2 22.8 1.0 OD1 B:ASP365 4.3 34.3 1.0 OE1 B:GLU368 4.3 39.2 1.0 OE1 B:GLU367 4.4 50.4 1.0 OE1 A:GLU368 4.5 52.8 1.0 OD2 B:ASP365 4.5 42.7 1.0 CB A:GLU368 4.6 33.5 1.0 CG A:ASP365 4.6 29.2 1.0 CG A:GLU368 4.7 39.9 1.0 CG B:ASP365 4.8 5.6 1.0 NZ A:LYS148 5.0 25.1 1.0

J.M.Elliott, L.Rouge, C.Wiesmann, J.M.Scheer. Crystal Structure of Procaspase-1 Zymogen Domain Reveals Insight Into Inflammatory Caspase Autoactivation J.Biol.Chem. V. 284 6546 2009.
ISSN: ISSN 0021-9258
PubMed: 19117953
DOI: 10.1074/JBC.M806121200