Magnesium in PDB 7uq1: The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site

The structure of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site, PDB code: 7uq1 was solved by M.G.Cuypers, C.Subramanian, J.Seetharaman, C.O.Rock, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.25 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.843, 54.289, 81.824, 90, 90, 90
R / Rfree (%)	17.4 / 22.3

The binding sites of Magnesium atom in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site (pdb code 7uq1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site, PDB code: 7uq1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:20.2 occ:1.00 OD1 A:ASP40 2.0 21.5 1.0 OD1 A:ASN32 2.0 20.2 1.0 O A:HOH458 2.0 24.2 1.0 O A:HOH448 2.1 20.8 1.0 O2P A:AMP301 2.1 20.0 1.0 OD1 A:ASP38 2.1 25.1 1.0 CG A:ASN32 3.0 20.1 1.0 CG A:ASP40 3.1 24.9 1.0 CG A:ASP38 3.1 27.4 1.0 P A:AMP301 3.2 21.3 1.0 OD2 A:ASP38 3.4 30.5 1.0 O1P A:AMP301 3.4 22.2 1.0 ND2 A:ASN32 3.5 21.6 1.0 OD2 A:ASP40 3.6 30.2 1.0 OG1 A:THR41 3.9 22.6 1.0 O A:VAL36 4.0 22.8 1.0 N A:ASP40 4.0 23.9 1.0 N A:THR41 4.1 23.5 1.0 O3P A:AMP301 4.1 24.0 1.0 O A:HOH403 4.2 37.9 1.0 CB A:ASP40 4.3 29.3 1.0 CB A:ASN32 4.4 20.6 1.0 C A:ASP40 4.4 23.0 1.0 O5' A:AMP301 4.4 18.3 1.0 CA A:ASP40 4.5 24.4 1.0 CB A:ASP38 4.5 28.8 1.0 ND2 A:ASN44 4.5 20.9 1.0 N A:ASP38 4.6 23.6 1.0 C5' A:AMP301 4.6 18.2 1.0 N A:GLY39 4.6 26.9 1.0 O A:HOH538 4.6 22.4 1.0 C A:ASP38 4.7 27.1 1.0 CA A:THR41 4.7 18.7 1.0 CA A:ASP38 4.8 29.2 1.0 CB A:THR41 4.9 21.9 1.0

Magnesium binding site 2 out of 3 in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:38.1 occ:1.00 OD2 A:ASP40 2.0 30.2 1.0 O A:HOH434 2.1 31.1 1.0 O A:HOH413 2.2 34.0 1.0 O A:HOH513 2.7 41.5 1.0 CG A:ASP40 3.2 24.9 1.0 CB A:ASP40 3.7 29.3 1.0 OD2 A:ASP38 4.0 30.5 1.0 OD1 A:ASP40 4.2 21.5 1.0 O A:HOH589 4.2 53.0 1.0 OD1 A:ASN44 4.4 26.3 1.0 ND2 A:ASN44 4.5 20.9 1.0 O A:HOH458 4.6 24.2 1.0 CG A:ASP38 4.6 27.4 1.0 CG A:ASN44 4.9 26.4 1.0

Magnesium binding site 3 out of 3 in the The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Ion at the Dinuclear Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:50.1 occ:1.00 O A:HOH511 2.1 48.6 1.0 O A:LYS203 2.1 42.6 1.0 O A:HOH498 2.2 41.3 1.0 O A:HOH521 3.2 59.2 1.0 C A:LYS203 3.2 40.1 1.0 CA A:LYS203 4.0 37.4 1.0 O A:HOH477 4.1 36.5 1.0 N A:GLY204 4.1 40.1 1.0 CB A:LYS203 4.2 42.3 1.0 CA A:GLY204 4.3 42.7 1.0 OE1 A:GLU205 4.3 51.8 1.0 C A:GLY204 4.6 42.5 1.0 O A:GLY204 4.7 52.8 1.0 CG A:GLU205 4.7 45.9 1.0

M.G.Cuypers, C.Subramanian, J.Seetharaman, C.O.Rock, S.W.White. The X-Ray Crystal Structure of the N-Terminal Domain of Staphylococcus Aureus Fatty Acid Kinase A (Faka, Residues 1-208) in Complex with Amp and A Single Mg Atom in the Dinuclear Binding Site. To Be Published.