Chlorine in PDB 4aux: Tet Repressor Class D in Complex with 9-Nitrotetracycline

The structure of Tet Repressor Class D in Complex with 9-Nitrotetracycline, PDB code: 4aux was solved by 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)	17.76 / 2.25
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.100, 69.100, 182.930, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.8

The structure of Tet Repressor Class D in Complex with 9-Nitrotetracycline also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Tet Repressor Class D in Complex with 9-Nitrotetracycline (pdb code 4aux). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tet Repressor Class D in Complex with 9-Nitrotetracycline, PDB code: 4aux:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tet Repressor Class D in Complex with 9-Nitrotetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tet Repressor Class D in Complex with 9-Nitrotetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:39.3 occ:1.00 N A:LEU4 3.1 46.5 1.0 NH1 A:ARG3 3.4 59.9 1.0 CA A:LEU4 3.8 43.4 1.0 CB A:LEU4 3.8 40.8 1.0 C A:ARG3 4.1 49.3 1.0 C A:LEU4 4.2 44.1 1.0 CA A:ARG3 4.2 53.5 1.0 CD A:ARG3 4.4 62.3 1.0 CG A:ARG3 4.5 58.7 1.0 CG A:LEU4 4.6 40.3 1.0 CZ A:ARG3 4.6 63.9 1.0 O A:LEU4 4.6 45.1 1.0 N A:ASN5 4.6 46.2 1.0 O A:ALA2 4.8 52.9 1.0 CB A:ARG3 4.9 57.8 1.0 NE A:ARG3 5.0 65.0 1.0

Chlorine binding site 2 out of 2 in the Tet Repressor Class D in Complex with 9-Nitrotetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tet Repressor Class D in Complex with 9-Nitrotetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:58.6 occ:1.00 N A:ARG3 3.6 55.2 1.0 CA A:ALA2 3.7 57.2 1.0 C A:ALA2 3.8 54.5 1.0 N A:ALA2 4.0 58.1 1.0 CA A:ARG3 4.5 53.5 1.0 CB A:ARG3 4.5 57.8 1.0 O A:ALA2 4.6 52.9 1.0

P.Orth, W.Saenger, W.Hinrichs. Tet Repressor Class D in Complex with 9-Nitrotetracycline and Magnesium To Be Published.