Magnesium in PDB 4wql: Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound

All present enzymatic activity of Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound:
2.7.7.46;

The structure of Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound, PDB code: 4wql was solved by G.Cox, P.J.Stogios, A.Savchenko, G.D.Wright, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.46 / 1.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.460, 42.010, 47.810, 90.00, 105.25, 90.00
R / Rfree (%)	14.8 / 18.4

The binding sites of Magnesium atom in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound (pdb code 4wql). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound, PDB code: 4wql:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:29.3 occ:0.87 O A:HOH491 1.9 29.6 1.0 OD2 A:ASP46 2.1 29.5 1.0 OD1 A:ASP44 2.2 27.5 1.0 O A:HOH492 2.2 40.4 1.0 O A:HOH495 2.2 34.7 1.0 MG A:MG202 2.6 36.6 1.0 CG A:ASP46 2.9 26.2 1.0 OD1 A:ASP46 3.1 28.5 1.0 CG A:ASP44 3.2 35.1 1.0 OD2 A:ASP44 3.7 45.3 1.0 O2 A:IPA204 3.7 26.9 0.5 O A:HOH443 3.9 19.1 1.0 O A:ASP44 4.0 20.1 1.0 O13 A:KAN203 4.2 57.6 1.0 C1 A:IPA204 4.3 22.7 0.5 C2 A:IPA204 4.3 27.2 0.5 O2 A:IPA204 4.3 26.5 0.5 CB A:ASP46 4.3 17.2 1.0 C A:ASP44 4.4 21.5 1.0 O A:HOH514 4.5 59.6 1.0 N A:GLY28 4.5 17.6 1.0 CB A:ASP44 4.6 29.2 1.0 N A:ASP44 4.6 19.7 1.0 N A:ASP46 4.6 14.9 1.0 C1 A:IPA204 4.7 29.1 0.5 CA A:ASP44 4.8 26.9 1.0 N4 A:KAN203 4.9 49.3 1.0 C2 A:IPA204 4.9 29.1 0.5

Magnesium binding site 2 out of 2 in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Kanamycin-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:36.6 occ:0.99 OD1 A:ASP46 2.3 28.5 1.0 OD2 A:ASP44 2.6 45.3 1.0 OD2 A:ASP86 2.6 23.2 1.0 O13 A:KAN203 2.6 57.6 1.0 MG A:MG201 2.6 29.3 0.9 N4 A:KAN203 2.7 49.3 1.0 OD1 A:ASP44 2.9 27.5 1.0 CG A:ASP44 3.1 35.1 1.0 CG A:ASP46 3.2 26.2 1.0 C15 A:KAN203 3.3 65.6 1.0 OD2 A:ASP46 3.4 29.5 1.0 CG A:ASP86 3.5 29.0 1.0 C14 A:KAN203 3.5 68.0 1.0 O A:HOH495 3.5 34.7 1.0 CB A:ASP86 3.5 14.3 1.0 N3 A:KAN203 4.0 30.5 1.0 O A:HOH492 4.1 40.4 1.0 O A:HOH491 4.4 29.6 1.0 O11 A:KAN203 4.6 43.0 1.0 O A:HOH529 4.6 67.7 1.0 CB A:ASP44 4.6 29.2 1.0 OD1 A:ASP86 4.6 23.9 1.0 CB A:ASP46 4.7 17.2 1.0 C13 A:KAN203 4.7 63.8 1.0 C16 A:KAN203 4.8 74.4 1.0 O A:HOH514 4.8 59.6 1.0

G.Cox, P.J.Stogios, A.Savchenko, G.D.Wright. Structural and Molecular Basis For Resistance to Aminoglycoside Antibiotics By the Adenyltransferase Ant(2")-Ia To Be Published.