Magnesium in PDB 2xpw: Tetr(D) in Complex with Oxytetracycline and Magnesium.

The structure of Tetr(D) in Complex with Oxytetracycline and Magnesium., PDB code: 2xpw was solved by D.Dalm, J.Proft, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.25 / 1.44
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.893, 66.893, 181.553, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.5

The structure of Tetr(D) in Complex with Oxytetracycline and Magnesium. also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Tetr(D) in Complex with Oxytetracycline and Magnesium. (pdb code 2xpw). 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 Tetr(D) in Complex with Oxytetracycline and Magnesium., PDB code: 2xpw:

Magnesium binding site 1 out of 1 in the Tetr(D) in Complex with Oxytetracycline and Magnesium.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tetr(D) in Complex with Oxytetracycline and Magnesium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg223 b:11.0 occ:1.00 O12 A:OTC222 2.0 10.7 1.0 O A:HOH2166 2.0 11.7 1.0 O11 A:OTC222 2.1 11.9 1.0 O A:HOH2282 2.1 12.7 1.0 NE2 A:HIS100 2.2 11.1 1.0 C12 A:OTC222 3.0 11.2 1.0 C11 A:OTC222 3.1 11.8 1.0 CE1 A:HIS100 3.1 10.5 1.0 CD2 A:HIS100 3.2 10.7 1.0 C5B A:OTC222 3.5 11.8 1.0 OG1 A:THR103 4.0 11.3 1.0 O A:HOH2281 4.0 17.3 1.0 O A:THR103 4.1 12.1 1.0 O10 A:OTC222 4.2 12.4 1.0 ND1 A:HIS100 4.2 10.0 1.0 O A:HOH2213 4.2 19.2 1.0 C4B A:OTC222 4.3 10.7 1.0 CG A:HIS100 4.3 10.4 1.0 O13 A:OTC222 4.3 10.4 1.0 C6B A:OTC222 4.4 12.1 1.0 C10 A:OTC222 4.8 13.0 1.0 C A:THR103 4.8 12.0 1.0 O A:HIS100 4.9 10.8 1.0 O1 A:OTC222 4.9 12.3 1.0 C5A A:OTC222 5.0 9.0 1.0

D.Dalm, G.J.Palm, J.Proft, W.Hinrichs. Tetr(D) in Complex with Oxytetracycline. To Be Published.