Magnesium in PDB 5fkk: Tetr(D) N82A Mutant in Complex with Anhydrotetracycline and Magnesium

The structure of Tetr(D) N82A Mutant in Complex with Anhydrotetracycline and Magnesium, PDB code: 5fkk was solved by S.Werten, J.Schneider, 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 / 1.75
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.231, 68.231, 179.247, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.4

The structure of Tetr(D) N82A Mutant in Complex with Anhydrotetracycline and Magnesium also contains other interesting chemical elements:

Chlorine

(Cl)

9 atoms

The binding sites of Magnesium atom in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline and Magnesium (pdb code 5fkk). 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) N82A Mutant in Complex with Anhydrotetracycline and Magnesium, PDB code: 5fkk:

Magnesium binding site 1 out of 1 in the Tetr(D) N82A Mutant in Complex with Anhydrotetracycline 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) N82A Mutant in Complex with Anhydrotetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg223 b:26.7 occ:1.00 O11 B:TDC222 1.9 26.3 1.0 O12 B:TDC222 2.0 28.3 1.0 O A:HOH2078 2.0 30.6 1.0 O A:HOH2077 2.1 29.1 1.0 O B:HOH2072 2.1 30.3 1.0 NE2 B:HIS100 2.3 23.1 1.0 C11 B:TDC222 3.0 29.1 1.0 C12 B:TDC222 3.0 29.3 1.0 CE1 B:HIS100 3.2 22.6 1.0 CD2 B:HIS100 3.3 22.6 1.0 C1B B:TDC222 3.5 27.7 1.0 O B:HOH2084 4.0 35.9 1.0 O B:HOH2102 4.1 42.5 1.0 OE2 A:GLU147 4.1 35.8 1.0 OG1 B:THR103 4.1 29.3 1.0 O B:THR103 4.1 26.9 1.0 O10 B:TDC222 4.2 31.6 1.0 OE1 A:GLU147 4.3 33.8 1.0 C1A B:TDC222 4.3 29.0 1.0 C1C B:TDC222 4.3 29.7 1.0 ND1 B:HIS100 4.3 23.8 1.0 O1C B:TDC222 4.4 29.0 1.0 CG B:HIS100 4.4 22.4 1.0 O A:HOH2079 4.6 48.6 1.0 CD A:GLU147 4.6 32.6 1.0 C10 B:TDC222 4.7 30.9 1.0 C B:THR103 4.8 28.7 1.0 O1 B:TDC222 4.8 32.8 1.0 C51 B:TDC222 4.9 28.4 1.0 OG B:SER138 5.0 30.6 1.0

S.Werten, J.Schneider, G.J.Palm, W.Hinrichs. Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor Febs J. V. 283 2102 2016.
ISSN: ISSN 1742-464X
PubMed: 27028290
DOI: 10.1111/FEBS.13723