Aluminium 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
Magnesium	(Mg)	2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Thermosome-Mg-Adp-ALF3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Al899 b:30.3 occ:1.00 AL A:AF3899 0.0 30.3 1.0 F2 A:AF3899 1.8 27.3 1.0 F1 A:AF3899 1.8 35.6 1.0 F3 A:AF3899 1.8 33.6 1.0 O1B A:ADP898 2.0 33.5 1.0 O A:HOH950 2.0 36.9 1.0 H A:GLY64 3.1 0.0 0.0 HG1 A:THR97 3.1 0.0 0.0 PB A:ADP898 3.1 33.0 1.0 H A:THR97 3.4 0.0 0.0 O3A A:ADP898 3.6 33.9 1.0 O2B A:ADP898 3.7 32.9 1.0 OG1 A:THR96 3.8 22.5 1.0 H A:GLY95 3.8 0.0 0.0 OG1 A:THR97 3.8 11.5 1.0 H A:THR96 3.8 0.0 0.0 OD2 A:ASP390 3.9 30.0 1.0 MG A:MG897 3.9 36.8 1.0 N A:GLY64 4.1 18.9 1.0 OD1 A:ASP94 4.1 28.0 1.0 HG1 A:THR96 4.2 0.0 0.0 OD1 A:ASP63 4.2 43.9 1.0 O1A A:ADP898 4.3 40.8 1.0 N A:THR97 4.3 9.1 1.0 O3B A:ADP898 4.4 32.8 1.0 PA A:ADP898 4.4 31.4 1.0 N A:THR96 4.4 9.7 1.0 N A:GLY95 4.5 14.0 1.0 O2A A:ADP898 4.6 28.4 1.0 CB A:THR97 4.6 10.8 1.0 CA A:ASP63 4.7 24.6 1.0 CB A:THR96 4.8 10.4 1.0 C A:ASP63 4.9 23.7 1.0 CG A:ASP390 4.9 28.9 1.0 CA A:GLY64 5.0 20.5 1.0 O A:ASN62 5.0 31.2 1.0 CG2 A:THR96 5.0 10.1 1.0

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


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Thermosome-Mg-Adp-ALF3 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Al999 b:68.6 occ:1.00 AL B:AF3999 0.0 68.6 1.0 F3 B:AF3999 1.8 67.0 1.0 F2 B:AF3999 1.8 67.3 1.0 F1 B:AF3999 1.8 69.1 1.0 O B:HOH951 2.0 69.0 1.0 O1B B:ADP998 2.0 63.6 1.0 PB B:ADP998 3.2 56.2 1.0 HG1 B:THR96 3.2 0.0 0.0 H B:GLY63 3.3 0.0 0.0 H B:GLY94 3.4 0.0 0.0 H B:THR96 3.5 0.0 0.0 O2B B:ADP998 3.6 57.2 1.0 HZ3 B:LYS163 3.7 0.0 0.0 OG1 B:THR96 3.8 18.8 1.0 H B:THR95 3.9 0.0 0.0 MG B:MG997 3.9 59.8 1.0 O3A B:ADP998 4.0 51.9 1.0 OG1 B:THR95 4.1 43.4 1.0 O1A B:ADP998 4.1 52.2 1.0 N B:GLY63 4.2 25.8 1.0 CE B:LYS163 4.2 46.8 1.0 HG1 B:THR95 4.2 0.0 0.0 NZ B:LYS163 4.3 48.2 1.0 O3B B:ADP998 4.3 57.7 1.0 N B:GLY94 4.4 33.2 1.0 CB B:THR96 4.4 17.7 1.0 OD1 B:ASP93 4.4 53.2 1.0 N B:THR96 4.4 19.1 1.0 HZ1 B:LYS163 4.5 0.0 0.0 PA B:ADP998 4.5 47.6 1.0 OD1 B:ASP62 4.5 45.4 1.0 N B:THR95 4.5 28.2 1.0 OD2 B:ASP391 4.6 53.4 1.0 CA B:ASP62 4.6 27.9 1.0 O2A B:ADP998 4.7 45.7 1.0 H B:VAL64 4.8 0.0 0.0 OD1 B:ASP391 4.8 58.2 1.0 OD1 B:ASN61 4.8 18.9 1.0 C B:ASP62 4.9 26.8 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