Magnesium in PDB 1ork: Tet Repressor, Class D in Complex with 9-(N,N-Dimethylglycylamido)-6- Demethyl-6-Deoxy-Tetracycline

The structure of Tet Repressor, Class D in Complex with 9-(N,N-Dimethylglycylamido)-6- Demethyl-6-Deoxy-Tetracycline, PDB code: 1ork was solved by P.Orth, D.Schnappinger, P.-E.Sum, G.A.Ellestad, W.Hillen, W.Saenger, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.50 / 2.40
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.940, 68.940, 180.750, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 27.5

The binding sites of Magnesium atom in the Tet Repressor, Class D in Complex with 9-(N,N-Dimethylglycylamido)-6- Demethyl-6-Deoxy-Tetracycline (pdb code 1ork). 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-(N,N-Dimethylglycylamido)-6- Demethyl-6-Deoxy-Tetracycline, PDB code: 1ork:

Magnesium binding site 1 out of 1 in the Tet Repressor, Class D in Complex with 9-(N,N-Dimethylglycylamido)-6- Demethyl-6-Deoxy-Tetracycline


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-(N,N-Dimethylglycylamido)-6- Demethyl-6-Deoxy-Tetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg223 b:35.4 occ:1.00 O A:HOH301 1.7 42.3 1.0 O A:HOH304 1.8 44.1 1.0 O A:HOH302 1.8 35.8 1.0 NE2 A:HIS100 1.9 27.4 1.0 O12 A:ATC222 2.1 38.2 1.0 O11 A:ATC222 2.2 42.9 1.0 CE1 A:HIS100 2.8 27.5 1.0 CD2 A:HIS100 3.0 27.0 1.0 C12 A:ATC222 3.2 39.8 1.0 C11 A:ATC222 3.2 42.8 1.0 C1B A:ATC222 3.6 41.5 1.0 O A:THR103 3.8 49.0 1.0 ND1 A:HIS100 4.0 26.7 1.0 O A:HOH303 4.1 24.1 1.0 CG A:HIS100 4.1 29.1 1.0 O10 A:ATC222 4.2 46.3 1.0 OG1 A:THR103 4.2 44.4 1.0 O1C A:ATC222 4.4 34.7 1.0 C1A A:ATC222 4.4 44.3 1.0 C1C A:ATC222 4.5 38.1 1.0 C A:THR103 4.7 49.3 1.0 O A:HIS100 4.7 35.2 1.0 C10 A:ATC222 4.8 46.0 1.0 O A:HOH316 4.9 53.0 1.0

P.Orth, D.Schnappinger, P.E.Sum, G.A.Ellestad, W.Hillen, W.Saenger, W.Hinrichs. Crystal Structure of the Tet Repressor in Complex with A Novel Tetracycline, 9-(N,N-Dimethylglycylamido)- 6-Demethyl-6-Deoxy-Tetracycline. J.Mol.Biol. V. 285 455 1999.
ISSN: ISSN 0022-2836
PubMed: 9878420
DOI: 10.1006/JMBI.1998.2290