Magnesium in PDB 8aer: Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant

The structure of Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant, PDB code: 8aer was solved by B.V.Kabasakal, J.W.Murray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 1.77
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.71, 124.51, 74.68, 90, 105.09, 90
R / Rfree (%)	17.4 / 19.6

The binding sites of Magnesium atom in the Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant (pdb code 8aer). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant, PDB code: 8aer:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1301 b:55.8 occ:1.00 O A:ASP811 2.4 48.2 1.0 O A:HOH1757 2.4 54.7 1.0 O A:ALA808 2.5 46.5 1.0 O A:HOH1732 2.5 57.7 1.0 C A:ASP811 3.6 48.5 1.0 C A:ALA808 3.6 44.5 1.0 O A:HOH1822 4.0 48.6 1.0 O A:ARG813 4.1 43.2 1.0 CA A:ALA808 4.1 44.0 1.0 CA A:GLU812 4.3 50.2 1.0 N A:GLU812 4.4 45.7 1.0 N A:ASP811 4.4 44.2 1.0 CB A:ALA808 4.4 39.1 1.0 C A:GLU812 4.4 49.5 1.0 CA A:ASP811 4.6 44.9 1.0 O A:GLU812 4.6 51.1 1.0 N A:ARG809 4.7 43.4 1.0 C A:ARG809 4.8 47.6 1.0 N A:ARG813 5.0 45.5 1.0 CA A:ARG809 5.0 48.2 1.0

Magnesium binding site 2 out of 2 in the Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Malonyl-Coa Reductase From Chloroflexus Aurantiacus - C-Terminal Y731A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1302 b:60.5 occ:1.00 O A:SER1152 2.7 48.3 1.0 O A:GLN1157 2.7 51.5 1.0 O A:HOH1738 2.9 54.7 1.0 N A:ILE1159 3.1 45.6 1.0 OG A:SER1152 3.2 55.4 1.0 O A:ILE1159 3.5 51.5 1.0 C A:SER1152 3.7 47.9 1.0 CA A:ARG1158 3.7 51.8 1.0 C A:GLN1157 3.8 56.8 1.0 C A:ARG1158 3.9 51.0 1.0 OG1 A:THR1155 4.0 48.3 1.0 CA A:ILE1159 4.1 42.0 1.0 CB A:SER1152 4.1 41.1 1.0 O A:THR1155 4.2 56.6 1.0 N A:ARG1158 4.2 52.6 1.0 C A:ILE1159 4.2 45.3 1.0 CA A:SER1152 4.4 41.8 1.0 CB A:ILE1159 4.5 48.2 1.0 CD1 A:ILE1159 4.5 48.1 1.0 N A:GLU1153 4.5 45.3 1.0 O A:HOH1484 4.6 37.9 1.0 CA A:GLU1153 4.7 49.0 1.0 CB A:ARG1158 4.9 55.5 1.0

B.V.Kabasakal, C.A.R.Cotton, J.W.Murray. Dynamic Lid Domain of Chloroflexus Aurantiacus Malonyl-Coa Reductase Controls the Reaction Biorxiv 2023.
ISSN: ISSN 2692-8205
DOI: 10.1101/2023.03.21.533589