Magnesium in PDB 5fkn: Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2

The structure of Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2, PDB code: 5fkn 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)	63.55 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.950, 67.950, 179.450, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 25.5

The structure of Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2 also contains other interesting chemical elements:

Chlorine

(Cl)

11 atoms

The binding sites of Magnesium atom in the Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2 (pdb code 5fkn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2, PDB code: 5fkn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1210 b:24.1 occ:1.00 O12 A:TDC1209 1.9 21.6 1.0 O11 A:TDC1209 2.0 21.4 1.0 O A:HOH2083 2.1 21.2 1.0 O A:HOH2085 2.1 22.6 1.0 O A:HOH2084 2.2 27.6 1.0 NE2 A:HIS100 2.4 20.1 1.0 C12 A:TDC1209 3.0 20.5 1.0 C11 A:TDC1209 3.1 22.0 1.0 CE1 A:HIS100 3.1 19.3 1.0 CD2 A:HIS100 3.4 19.8 1.0 C1B A:TDC1209 3.5 20.2 1.0 O A:HOH2090 3.9 24.4 1.0 OE2 B:GLU147 4.1 34.7 1.0 OE1 B:GLU147 4.1 34.8 1.0 O A:HOH2114 4.1 32.8 1.0 O10 A:TDC1209 4.1 25.2 1.0 O A:ALA103 4.2 36.9 1.0 O1C A:TDC1209 4.2 19.8 1.0 C1C A:TDC1209 4.3 19.4 1.0 ND1 A:HIS100 4.3 19.8 1.0 O A:HOH2082 4.4 28.6 1.0 C1A A:TDC1209 4.4 23.1 1.0 CG A:HIS100 4.5 19.8 1.0 CD B:GLU147 4.5 34.0 1.0 C10 A:TDC1209 4.8 25.5 1.0 O1 A:TDC1209 4.9 19.6 1.0 C51 A:TDC1209 5.0 19.7 1.0

Magnesium binding site 2 out of 2 in the Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Tetr(D) T103A Mutant in Complex with Anhydrotetracycline and Magnesium, P4(3)2(1)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1210 b:33.5 occ:1.00 O A:HOH2120 1.9 44.9 1.0 O12 B:TDC1209 1.9 30.1 1.0 O11 B:TDC1209 2.1 40.4 1.0 O A:HOH2118 2.2 49.5 1.0 O B:HOH2068 2.2 29.0 1.0 NE2 B:HIS100 2.4 25.9 1.0 C12 B:TDC1209 3.0 32.5 1.0 C11 B:TDC1209 3.2 39.4 1.0 CE1 B:HIS100 3.3 26.7 1.0 CD2 B:HIS100 3.4 24.7 1.0 C1B B:TDC1209 3.6 36.0 1.0 OE2 A:GLU147 4.0 42.3 1.0 O B:HOH2069 4.1 42.5 1.0 O B:ALA103 4.2 50.8 1.0 C1C B:TDC1209 4.3 30.0 1.0 O B:HOH2067 4.3 35.3 1.0 OE1 A:GLU147 4.3 45.8 1.0 O1C B:TDC1209 4.3 27.1 1.0 O10 B:TDC1209 4.4 46.0 1.0 ND1 B:HIS100 4.4 26.4 1.0 CG B:HIS100 4.5 24.7 1.0 C1A B:TDC1209 4.6 42.4 1.0 CD A:GLU147 4.6 41.2 1.0 OG B:SER138 4.6 22.2 0.5 CD1 B:LEU142 4.7 20.5 0.5 CZ B:PHE86 4.8 21.1 1.0 O1 B:TDC1209 4.9 30.7 1.0 C10 B:TDC1209 5.0 44.9 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