Magnesium in PDB 4aux: Tet Repressor Class D in Complex with 9-Nitrotetracycline

The structure of Tet Repressor Class D in Complex with 9-Nitrotetracycline, PDB code: 4aux was solved by P.Orth, W.Saenger, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.76 / 2.25
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.100, 69.100, 182.930, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.8

The structure of Tet Repressor Class D in Complex with 9-Nitrotetracycline also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Tet Repressor Class D in Complex with 9-Nitrotetracycline (pdb code 4aux). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Tet Repressor Class D in Complex with 9-Nitrotetracycline, PDB code: 4aux:

Magnesium binding site 1 out of 1 in the Tet Repressor Class D in Complex with 9-Nitrotetracycline


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tet Repressor Class D in Complex with 9-Nitrotetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg223 b:26.6 occ:1.00 O12 A:XTC222 2.0 29.6 1.0 O A:HOH2023 2.1 25.6 1.0 O11 A:XTC222 2.1 32.7 1.0 O A:HOH2025 2.2 27.2 1.0 O A:HOH2024 2.2 30.5 1.0 NE2 A:HIS100 2.3 26.8 1.0 C12 A:XTC222 3.1 30.0 1.0 CE1 A:HIS100 3.2 26.7 1.0 C11 A:XTC222 3.2 32.5 1.0 CD2 A:HIS100 3.2 27.2 1.0 C1B A:XTC222 3.5 31.0 1.0 O A:THR103 4.0 40.4 1.0 O A:HOH2033 4.0 32.9 1.0 OG1 A:THR103 4.1 35.8 1.0 O10 A:XTC222 4.2 36.4 1.0 ND1 A:HIS100 4.3 27.1 1.0 O A:HOH2038 4.3 41.3 1.0 CG A:HIS100 4.3 27.1 1.0 O1C A:XTC222 4.4 28.1 1.0 C1C A:XTC222 4.4 29.3 1.0 C1A A:XTC222 4.5 34.4 1.0 C A:THR103 4.7 41.5 1.0 C10 A:XTC222 4.9 37.0 1.0 O1 A:XTC222 5.0 30.9 1.0

P.Orth, W.Saenger, W.Hinrichs. Tet Repressor Class D in Complex with 9-Nitrotetracycline and Magnesium To Be Published.