Magnesium in PDB 4v2g: Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline

The structure of Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline, PDB code: 4v2g was solved by S.Werten, 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)	64.74 / 2.71
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.249, 69.249, 182.373, 90.00, 90.00, 90.00
R / Rfree (%)	17.464 / 25.156

The structure of Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline (pdb code 4v2g). 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 Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline, PDB code: 4v2g:

Magnesium binding site 1 out of 1 in the Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg223 b:20.6 occ:0.50 O A:HOH2015 1.9 32.5 1.0 O11 B:CTC222 2.0 31.7 1.0 O A:HOH2014 2.1 41.3 1.0 O12 B:CTC222 2.2 25.2 1.0 O B:HOH2008 2.2 21.2 1.0 NE2 B:HIS100 2.3 31.1 1.0 CE1 B:HIS100 2.9 29.0 1.0 C11 B:CTC222 3.1 33.4 1.0 C12 B:CTC222 3.3 27.6 1.0 CD2 B:HIS100 3.5 29.3 1.0 OE2 A:GLU147 3.5 41.6 1.0 C5B B:CTC222 3.6 30.6 1.0 O B:HOH2009 3.8 19.0 1.0 O B:THR103 3.9 40.4 1.0 O10 B:CTC222 4.0 42.8 1.0 OG1 B:THR103 4.1 39.6 1.0 ND1 B:HIS100 4.1 28.7 1.0 C6B B:CTC222 4.3 37.6 1.0 CG B:HIS100 4.4 28.4 1.0 C4B B:CTC222 4.5 28.1 1.0 O4B B:CTC222 4.5 28.7 1.0 CD A:GLU147 4.6 40.7 1.0 C10 B:CTC222 4.6 40.5 1.0 C B:THR103 4.6 39.6 1.0 OE1 A:GLU147 4.7 51.7 1.0 O1 B:CTC222 4.8 23.3 1.0 O A:HOH2005 4.9 34.4 1.0 C5A B:CTC222 5.0 33.1 1.0

S.Werten, D.Dalm, G.J.Palm, C.C.Grimm, W.Hinrichs. Tetracycline Repressor Allostery Does Not Depend on Divalent Metal Recognition. Biochemistry 2014.
ISSN: ESSN 1520-4995
PubMed: 25432019
DOI: 10.1021/BI5012805