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

Protein crystallography data

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

Other elements in 1a6e:

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

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

Magnesium Binding Sites:

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 1a6e

Go back to Magnesium Binding Sites List in 1a6e
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 1a6e

Go back to Magnesium Binding Sites List in 1a6e
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

Reference:

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
Page generated: Mon Dec 14 03:28:17 2020

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