Chlorine in PDB 4b3a: Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline

The structure of Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline, PDB code: 4b3a was solved by S.Eltschkner, S.Schindler, G.J.Palm, J.Schneider, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.80 / 1.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.537, 67.537, 179.859, 90.00, 90.00, 90.00
R / Rfree (%)	20.304 / 24.997

The structure of Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline (pdb code 4b3a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline, PDB code: 4b3a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:42.1 occ:1.00 N A:ARG3 3.4 41.7 1.0 CA A:SER2 3.6 47.2 1.0 C A:SER2 3.8 43.9 1.0 CB A:SER2 3.9 48.8 1.0 CB A:ARG3 4.1 43.6 1.0 CA A:ARG3 4.3 41.8 1.0 O A:SER2 4.9 42.6 1.0 N A:SER2 5.0 47.7 1.0

Chlorine binding site 2 out of 3 in the Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1210 b:39.7 occ:1.00 N A:LEU4 3.1 37.1 1.0 NH1 A:ARG3 3.4 45.5 1.0 CB A:LEU4 3.8 35.4 1.0 CA A:LEU4 3.8 37.2 1.0 CD A:ARG3 3.9 45.3 1.0 C A:ARG3 4.0 38.8 1.0 CA A:ARG3 4.1 41.8 1.0 C A:LEU4 4.1 38.8 1.0 CG A:LEU4 4.3 34.6 1.0 N A:ASN5 4.3 39.0 1.0 CG A:ARG3 4.4 45.0 1.0 CZ A:ARG3 4.4 46.5 1.0 O A:SER2 4.6 42.6 1.0 NE A:ARG3 4.7 47.1 1.0 O A:LEU4 4.7 43.8 1.0 CB A:ARG3 4.8 43.6 1.0

Chlorine binding site 3 out of 3 in the Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:56.6 occ:1.00 O A:HOH2013 3.2 46.2 1.0 N A:THR27 3.3 44.2 1.0 OG1 A:THR27 3.6 40.4 1.0 O A:HOH2028 3.7 54.4 1.0 CA A:THR26 3.7 48.6 1.0 CB A:THR26 3.7 50.5 1.0 C A:THR26 4.0 45.0 1.0 CG2 A:THR27 4.1 40.9 1.0 CB A:LYS48 4.2 42.8 1.0 CB A:THR27 4.2 40.8 1.0 CG2 A:THR26 4.3 52.8 1.0 CA A:THR27 4.3 43.1 1.0 CD A:LYS48 4.6 46.3 1.0 CG A:LYS48 4.7 43.6 1.0 O A:LEU25 4.9 60.1 1.0 N A:LYS48 4.9 40.8 1.0 OG1 A:THR26 5.0 50.9 1.0

S.Eltschkner, S.Schindler, G.J.Palm, J.Schneider, W.Hinrichs. Tetracycline Repressor Class D Mutant H100A in Complex with Tetracycline To Be Published.