Magnesium in PDB 1a6e: Thermosome-Mg-Adp-ALF3 Complex

The structure of Thermosome-Mg-Adp-ALF3 Complex, PDB code: 1a6e was solved by L.Ditzel, J.Loewe, D.Stock, K.-O.Stetter, H.Huber, R.Huber, S.Steinbacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 3.20
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	167.800, 167.800, 202.300, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 28.5

The structure of Thermosome-Mg-Adp-ALF3 Complex also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Aluminium	(Al)	2 atoms

The binding sites of Magnesium atom in the Thermosome-Mg-Adp-ALF3 Complex (pdb code 1a6e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Thermosome-Mg-Adp-ALF3 Complex, PDB code: 1a6e:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Thermosome-Mg-Adp-ALF3 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thermosome-Mg-Adp-ALF3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg897 b:36.8 occ:1.00 F1 A:AF3899 2.2 35.6 1.0 OD1 A:ASP94 2.2 28.0 1.0 O1A A:ADP898 2.4 40.8 1.0 O2B A:ADP898 2.5 32.9 1.0 CG A:ASP94 3.0 21.1 1.0 OD2 A:ASP94 3.1 29.2 1.0 PA A:ADP898 3.7 31.4 1.0 H A:GLY95 3.7 0.0 0.0 PB A:ADP898 3.7 33.0 1.0 O A:ALA158 3.8 24.3 1.0 AL A:AF3899 3.9 30.3 1.0 O3A A:ADP898 4.0 33.9 1.0 OD2 A:ASP390 4.0 30.0 1.0 O1B A:ADP898 4.1 33.5 1.0 CA A:ALA158 4.3 18.4 1.0 CB A:ASP94 4.3 13.8 1.0 C A:ALA158 4.4 22.7 1.0 O2A A:ADP898 4.5 28.4 1.0 N A:GLY95 4.6 14.0 1.0 O A:HOH950 4.6 36.9 1.0 CG A:ASP390 4.8 28.9 1.0 O5' A:ADP898 4.8 33.1 1.0 CA A:ASP94 4.8 12.8 1.0 CB A:ASP390 4.8 23.3 1.0 CB A:ALA158 4.8 19.4 1.0 C5' A:ADP898 4.9 30.3 1.0 O A:THR157 5.0 20.5 1.0 O3B A:ADP898 5.0 32.8 1.0 F3 A:AF3899 5.0 33.6 1.0

Magnesium binding site 2 out of 2 in the Thermosome-Mg-Adp-ALF3 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thermosome-Mg-Adp-ALF3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg997 b:59.8 occ:1.00 F1 B:AF3999 2.2 69.1 1.0 O1A B:ADP998 2.3 52.2 1.0 OD1 B:ASP93 2.3 53.2 1.0 O2B B:ADP998 2.4 57.2 1.0 HZ1 B:LYS163 2.9 0.0 0.0 CG B:ASP93 3.4 48.5 1.0 PA B:ADP998 3.6 47.6 1.0 HZ3 B:LYS163 3.7 0.0 0.0 PB B:ADP998 3.7 56.2 1.0 NZ B:LYS163 3.7 48.2 1.0 OD2 B:ASP93 3.8 54.4 1.0 AL B:AF3999 3.9 68.6 1.0 O3A B:ADP998 4.0 51.9 1.0 OD1 B:ASP391 4.0 58.2 1.0 O1B B:ADP998 4.1 63.6 1.0 O B:SER159 4.2 32.7 1.0 OG B:SER162 4.2 48.4 1.0 OG B:SER159 4.4 37.7 1.0 CE B:LYS163 4.4 46.8 1.0 C5' B:ADP998 4.4 46.5 1.0 CA B:SER159 4.4 30.0 1.0 H B:GLY94 4.4 0.0 0.0 O5' B:ADP998 4.5 49.3 1.0 HZ2 B:LYS163 4.5 0.0 0.0 O B:HOH951 4.6 69.0 1.0 CB B:SER162 4.6 38.5 1.0 O2A B:ADP998 4.7 45.7 1.0 CB B:ASP93 4.8 40.2 1.0 CG B:ASP391 4.8 50.6 1.0 C B:SER159 4.8 29.6 1.0 F3 B:AF3999 4.8 67.0 1.0 CB B:SER159 4.9 27.4 1.0 O3B B:ADP998 4.9 57.7 1.0

L.Ditzel, J.Lowe, D.Stock, K.O.Stetter, H.Huber, R.Huber, S.Steinbacher. Crystal Structure of the Thermosome, the Archaeal Chaperonin and Homolog of Cct. Cell(Cambridge,Mass.) V. 93 125 1998.
ISSN: ISSN 0092-8674
PubMed: 9546398
DOI: 10.1016/S0092-8674(00)81152-6