Chlorine in PDB 2y6r: Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline

The structure of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline, PDB code: 2y6r 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)	48.33 / 3.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	67.416, 78.870, 86.609, 110.99, 90.27, 92.87
R / Rfree (%)	22.509 / 25.616

The binding sites of Chlorine atom in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline (pdb code 2y6r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline, PDB code: 2y6r:
Jump to Chlorine binding site number: 1; 2; 3; 4;

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1385 b:0.4 occ:1.00 CL7 A:CTC1385 0.0 0.4 1.0 C7 A:CTC1385 1.8 0.7 1.0 C6' A:CTC1385 2.7 0.8 1.0 C8 A:CTC1385 2.7 0.4 1.0 C6A A:CTC1385 2.8 0.9 1.0 C6 A:CTC1385 3.2 0.9 1.0 CE A:MET375 3.2 85.3 1.0 O A:PHE319 3.7 61.0 1.0 O6 A:CTC1385 3.9 0.7 1.0 C9 A:CTC1385 4.0 0.5 1.0 C6B A:CTC1385 4.1 0.5 1.0 OD1 A:ASN371 4.3 78.1 1.0 C5A A:CTC1385 4.5 0.8 1.0 C10 A:CTC1385 4.5 0.1 1.0 C A:PHE319 4.6 58.5 1.0 SD A:MET375 4.7 84.8 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1385 b:92.9 occ:1.00 CL7 B:CTC1385 0.0 92.9 1.0 C7 B:CTC1385 1.8 93.4 1.0 C6' B:CTC1385 2.5 94.5 1.0 CE B:MET375 2.7 85.3 1.0 C8 B:CTC1385 2.7 93.1 1.0 C6A B:CTC1385 2.8 94.0 1.0 C6 B:CTC1385 3.1 94.5 1.0 O B:PHE319 3.8 61.1 1.0 O6 B:CTC1385 3.9 93.8 1.0 C9 B:CTC1385 4.0 93.5 1.0 C6B B:CTC1385 4.0 93.8 1.0 SD B:MET375 4.2 85.1 1.0 C5A B:CTC1385 4.4 94.2 1.0 OD1 B:ASN371 4.4 77.8 1.0 C10 B:CTC1385 4.5 93.9 1.0 CE1 B:PHE382 4.6 0.5 1.0 CD1 B:PHE382 4.7 0.5 1.0 C B:PHE319 4.8 58.4 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1385 b:0.5 occ:1.00 CL7 C:CTC1385 0.0 0.5 1.0 C7 C:CTC1385 1.8 0.5 1.0 C6' C:CTC1385 2.5 0.6 1.0 C8 C:CTC1385 2.8 0.7 1.0 C6A C:CTC1385 2.8 0.3 1.0 C6 C:CTC1385 3.1 0.8 1.0 CE C:MET375 3.6 0.3 1.0 O6 C:CTC1385 3.7 0.4 1.0 C9 C:CTC1385 4.1 0.9 1.0 C6B C:CTC1385 4.1 0.2 1.0 O C:PHE319 4.2 0.8 1.0 C5A C:CTC1385 4.4 0.9 1.0 C10 C:CTC1385 4.6 0.4 1.0 SD C:MET215 4.7 0.8 1.0 CE1 C:PHE382 5.0 0.0 1.0 C C:PHE319 5.0 99.9 1.0

Chlorine binding site 4 out of 4 in the Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Tetx Monooxygenase in Complex with the Substrate 7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1385 b:97.2 occ:1.00 CL7 D:CTC1385 0.0 97.2 1.0 C7 D:CTC1385 1.8 97.3 1.0 C6' D:CTC1385 2.6 95.8 1.0 C8 D:CTC1385 2.8 97.5 1.0 C6A D:CTC1385 2.8 96.7 1.0 C6 D:CTC1385 3.1 95.6 1.0 O6 D:CTC1385 3.6 95.8 1.0 CE D:MET375 3.8 0.3 1.0 C9 D:CTC1385 4.1 97.5 1.0 C6B D:CTC1385 4.1 97.0 1.0 O D:PHE319 4.3 89.4 1.0 C5A D:CTC1385 4.5 94.3 1.0 C10 D:CTC1385 4.6 97.8 1.0 SD D:MET215 4.7 93.8 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