Iodine in PDB 2y6q: Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline

The structure of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline, PDB code: 2y6q was solved by G.Volkers, G.J.Palm, M.S.Weiss, G.D.Wright, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.98 / 2.37
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	68.700, 79.960, 88.000, 111.10, 90.41, 92.96
R / Rfree (%)	21.838 / 23.776

The binding sites of Iodine atom in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline (pdb code 2y6q). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline, PDB code: 2y6q:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:I1385 b:77.0 occ:1.00 I7 A:I7T1385 0.0 77.0 1.0 C7 A:I7T1385 1.9 65.8 1.0 SD A:MET375 2.8 64.8 1.0 C8 A:I7T1385 2.8 64.1 1.0 C61 A:I7T1385 2.9 62.2 1.0 C6 A:I7T1385 3.3 58.9 1.0 O A:PHE319 3.3 46.0 1.0 C9 A:I7T1385 4.1 62.6 1.0 C1A A:I7T1385 4.2 62.3 1.0 CG A:MET375 4.2 61.9 1.0 CE A:MET375 4.2 60.5 1.0 CE1 A:PHE382 4.3 63.9 1.0 C A:PHE319 4.4 44.4 1.0 C5A A:I7T1385 4.6 54.0 1.0 CB A:PHE319 4.7 43.3 1.0 C10 A:I7T1385 4.7 64.1 1.0 CA A:PHE319 4.7 41.8 1.0 CE1 A:PHE224 4.8 30.4 1.0 CD1 A:PHE382 4.8 69.4 1.0 OD1 A:ASN371 5.0 57.5 1.0

Iodine binding site 2 out of 4 in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline within 5.0Å range: probe atom residue distance (Å) B Occ B:I1385 b:91.1 occ:1.00 I7 B:I7T1385 0.0 91.1 1.0 C7 B:I7T1385 1.9 77.8 1.0 C8 B:I7T1385 2.8 75.4 1.0 C61 B:I7T1385 2.9 74.1 1.0 C6 B:I7T1385 3.2 69.7 1.0 SD B:MET375 3.3 64.5 1.0 O B:PHE319 3.6 47.0 1.0 C9 B:I7T1385 4.1 72.3 1.0 CE1 B:PHE382 4.1 64.4 1.0 C1A B:I7T1385 4.2 70.6 1.0 CD1 B:PHE382 4.5 69.7 1.0 C5A B:I7T1385 4.6 64.1 1.0 C10 B:I7T1385 4.6 70.7 1.0 CG B:MET375 4.6 62.4 1.0 CE B:MET375 4.6 61.1 1.0 C B:PHE319 4.7 45.6 1.0 CE1 B:PHE224 4.7 35.6 1.0

Iodine binding site 3 out of 4 in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline within 5.0Å range: probe atom residue distance (Å) B Occ C:I1385 b:100.0 occ:1.00 I7 C:I7T1385 0.0 100.0 1.0 C7 C:I7T1385 1.9 87.2 1.0 C8 C:I7T1385 2.8 86.2 1.0 C61 C:I7T1385 3.0 82.1 1.0 C6 C:I7T1385 3.4 77.9 1.0 SD C:MET375 3.7 87.5 1.0 O C:PHE319 3.7 68.6 1.0 C9 C:I7T1385 4.1 85.8 1.0 CE1 C:PHE382 4.2 86.5 1.0 C1A C:I7T1385 4.3 80.8 1.0 CD1 C:PHE382 4.5 92.9 1.0 C10 C:I7T1385 4.7 84.2 1.0 SD C:MET215 4.8 72.2 1.0 C5A C:I7T1385 4.8 74.7 1.0 CE2 C:PHE224 4.8 52.6 1.0 C C:PHE319 4.8 65.9 1.0 CE C:MET375 4.9 83.5 1.0 CE C:MET215 5.0 61.9 1.0

Iodine binding site 4 out of 4 in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Iodtetracycline within 5.0Å range: probe atom residue distance (Å) B Occ D:I1385 b:0.5 occ:1.00 I7 D:I7T1385 0.0 0.5 1.0 C7 D:I7T1385 1.9 87.5 1.0 C8 D:I7T1385 2.8 85.7 1.0 C61 D:I7T1385 3.0 82.4 1.0 C6 D:I7T1385 3.4 78.6 1.0 SD D:MET375 3.7 85.6 1.0 O D:PHE319 3.9 68.1 1.0 CE1 D:PHE382 4.1 83.6 1.0 C9 D:I7T1385 4.1 83.8 1.0 C1A D:I7T1385 4.3 79.4 1.0 CD1 D:PHE382 4.4 89.6 1.0 SD D:MET215 4.6 73.1 1.0 C10 D:I7T1385 4.7 82.2 1.0 CE2 D:PHE224 4.7 54.2 1.0 CE D:MET215 4.8 63.5 1.0 C5A D:I7T1385 4.8 75.4 1.0

G.Volkers, G.J.Palm, M.S.Weiss, G.D.Wright, W.Hinrichs. Structural Basis For A New Tetracycline Resistance Mechanism Relying on the Tetx Monooxygenase. Febs Lett. V. 585 1061 2011.
ISSN: ISSN 0014-5793
PubMed: 21402075
DOI: 10.1016/J.FEBSLET.2011.03.012