Magnesium in PDB 3lqq: Structure of the Ced-4 Apoptosome

The structure of Structure of the Ced-4 Apoptosome, PDB code: 3lqq was solved by S.Qi, Y.Pang, Y.Shi, N.Yan, Q.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.66 / 3.53
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	181.640, 181.640, 203.190, 90.00, 90.00, 90.00
R / Rfree (%)	27.5 / 31.1

The binding sites of Magnesium atom in the Structure of the Ced-4 Apoptosome (pdb code 3lqq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Ced-4 Apoptosome, PDB code: 3lqq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Ced-4 Apoptosome


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Ced-4 Apoptosome within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:0.4 occ:1.00 O2G A:ATP602 2.8 0.5 1.0 OG A:SER166 2.9 0.8 1.0 NZ A:LYS191 3.0 0.1 1.0 O2A A:ATP602 3.1 0.9 1.0 CB A:SER166 3.3 0.2 1.0 O1B A:ATP602 3.4 0.0 1.0 OD2 A:ASP250 3.6 0.1 1.0 OD1 A:ASP250 4.2 0.4 1.0 PG A:ATP602 4.2 0.2 1.0 CE A:LYS191 4.3 0.6 1.0 CG A:ASP250 4.3 0.1 1.0 PA A:ATP602 4.6 0.1 1.0 O3B A:ATP602 4.7 0.5 1.0 PB A:ATP602 4.7 0.9 1.0 CA A:SER166 4.8 0.8 1.0 CE1 A:TYR369 4.9 0.1 1.0 O3G A:ATP602 5.0 92.3 1.0

Magnesium binding site 2 out of 2 in the Structure of the Ced-4 Apoptosome


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Ced-4 Apoptosome within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:80.8 occ:1.00 OG B:SER166 2.3 0.8 1.0 O1B B:ATP602 2.7 0.3 1.0 CB B:SER166 3.0 0.0 1.0 O1G B:ATP602 3.1 0.6 1.0 O2A B:ATP602 3.4 0.6 1.0 OD2 B:ASP250 3.4 0.9 1.0 NZ B:LYS191 3.5 0.2 1.0 OD1 B:ASP250 3.5 0.4 1.0 CG B:ASP250 3.9 0.5 1.0 PG B:ATP602 3.9 0.4 1.0 O2G B:ATP602 4.0 0.6 1.0 PB B:ATP602 4.1 0.0 1.0 O3B B:ATP602 4.2 0.9 1.0 CE B:LYS191 4.4 0.5 1.0 CA B:SER166 4.5 0.8 1.0 PA B:ATP602 4.7 0.3 1.0 N B:SER166 4.8 0.6 1.0 O3A B:ATP602 4.9 0.5 1.0 CB B:ASP251 5.0 1.0 1.0

S.Qi, Y.Pang, Q.Hu, Q.Liu, H.Li, Y.Zhou, T.He, Q.Liang, Y.Liu, X.Yuan, G.Luo, H.Li, J.Wang, N.Yan, Y.Shi. Crystal Structure of the Caenorhabditis Elegans Apoptosome Reveals An Octameric Assembly of Ced-4. Cell(Cambridge,Mass.) V. 141 446 2010.
ISSN: ISSN 0092-8674
PubMed: 20434985
DOI: 10.1016/J.CELL.2010.03.017