Magnesium in PDB 4wqk: Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form

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

The structure of Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form, PDB code: 4wqk 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)	37.07 / 1.48
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.528, 42.110, 47.702, 90.00, 105.49, 90.00
R / Rfree (%)	15.9 / 19.6

The structure of Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form (pdb code 4wqk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form, PDB code: 4wqk:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form


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, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:23.3 occ:0.81 O A:HOH502 1.8 35.5 1.0 OD1 A:ASP44 2.0 27.1 1.0 O A:HOH515 2.0 25.7 1.0 OD2 A:ASP46 2.0 28.7 1.0 O A:HOH501 2.3 27.6 1.0 O A:HOH483 2.4 35.3 1.0 MG A:MG202 2.5 27.3 0.5 CG A:ASP46 2.9 20.6 1.0 CG A:ASP44 3.0 28.3 1.0 OD1 A:ASP46 3.1 30.1 1.0 OD2 A:ASP44 3.4 42.2 1.0 O A:HOH558 3.8 33.4 0.5 O A:ASP44 4.1 23.0 1.0 O A:HOH418 4.2 20.1 1.0 O A:HOH481 4.2 34.4 1.0 C A:ASP44 4.3 21.3 1.0 O A:HOH510 4.3 60.8 1.0 CB A:ASP46 4.3 19.4 1.0 CB A:ASP44 4.4 26.9 1.0 O A:HOH498 4.4 42.5 1.0 O A:HOH558 4.4 31.6 0.5 N A:ASP44 4.5 23.0 1.0 N A:ASP46 4.6 18.1 1.0 CA A:ASP44 4.6 23.7 1.0 OD2 A:ASP86 4.8 28.8 1.0 O A:HOH482 4.9 25.6 1.0 N A:ILE45 4.9 17.9 1.0 CA A:ASP46 5.0 17.6 1.0 C A:ILE45 5.0 19.3 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form


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, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:27.3 occ:0.49 O A:HOH502 2.1 35.5 1.0 OD2 A:ASP86 2.4 28.8 1.0 OD1 A:ASP46 2.4 30.1 1.0 MG A:MG201 2.5 23.3 0.8 OD2 A:ASP44 2.7 42.2 1.0 O A:HOH558 3.0 31.6 0.5 OD1 A:ASP44 3.1 27.1 1.0 CG A:ASP44 3.3 28.3 1.0 O A:HOH515 3.3 25.7 1.0 CG A:ASP46 3.3 20.6 1.0 CG A:ASP86 3.3 25.2 1.0 OD2 A:ASP46 3.3 28.7 1.0 CB A:ASP86 3.4 21.1 1.0 O A:HOH558 3.6 33.4 0.5 O3 A:GOL211 4.0 51.1 1.0 C3 A:GOL211 4.0 41.6 1.0 O A:HOH483 4.1 35.3 1.0 OD1 A:ASP86 4.5 25.9 1.0 O A:HOH510 4.7 60.8 1.0 CB A:ASP46 4.7 19.4 1.0 CB A:ASP44 4.7 26.9 1.0 O A:HOH501 4.8 27.6 1.0 CA A:ASP86 4.9 17.6 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Aminoglycoside Nucleotidylyltransferase Ant(2")- Ia, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:23.1 occ:0.63 O A:HOH412 2.0 20.9 1.0 O A:HOH540 2.0 32.9 1.0 O A:HOH468 2.0 37.5 1.0 O A:HOH430 2.1 22.6 1.0 O A:HOH530 2.1 34.2 1.0 O A:HOH421 2.3 30.9 1.0 O A:HOH427 4.0 22.1 1.0 O A:HOH438 4.1 24.9 1.0 O A:HOH489 4.3 55.8 1.0 OE1 A:GLU112 4.3 23.0 1.0 O A:GLY105 4.5 16.1 1.0 O A:HOH387 4.5 52.4 1.0 OE2 A:GLU112 4.5 28.8 1.0 CB A:SER124 4.5 17.1 1.0 CB A:PRO108 4.7 17.9 1.0 CG A:PRO108 4.8 20.9 1.0 OE1 A:GLU126 4.9 27.9 1.0 CD A:GLU112 4.9 25.1 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.