Chlorine in PDB 2x6o: Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline

The structure of Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline, PDB code: 2x6o was solved by G.Volkers, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.43 / 2.30
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.050, 69.050, 180.610, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26.9

The binding sites of Chlorine atom in the Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline (pdb code 2x6o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline, PDB code: 2x6o:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline


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 7-Chlor-2-Cyano-Iso- Tetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:84.6 occ:1.00 CL7 A:2TC1209 0.0 84.6 1.0 C7 A:2TC1209 1.8 83.1 1.0 C8 A:2TC1209 2.8 91.2 1.0 C61 A:2TC1209 2.8 80.0 1.0 C6 A:2TC1209 3.3 74.4 1.0 C51 A:2TC1209 3.4 70.7 1.0 C62 A:2TC1209 3.5 80.8 1.0 NE2 A:HIS139 3.6 42.5 1.0 CB A:SER138 3.8 36.8 1.0 C1B A:2TC1209 3.9 71.7 1.0 CD2 A:HIS139 4.0 39.1 1.0 OG A:SER138 4.0 44.8 1.0 CA A:SER135 4.0 39.5 1.0 C1A A:2TC1209 4.1 81.5 1.0 OG A:SER135 4.1 46.1 1.0 C9 A:2TC1209 4.1 93.2 1.0 CB A:SER135 4.3 39.9 1.0 O A:SER135 4.4 38.5 1.0 C12 A:2TC1209 4.5 74.2 1.0 CE1 A:HIS139 4.5 38.6 1.0 O12 A:2TC1209 4.5 78.6 1.0 C10 A:2TC1209 4.6 87.6 1.0 C5 A:2TC1209 4.7 70.0 1.0 O6 A:2TC1209 4.7 74.5 1.0 C A:SER135 4.8 37.5 1.0 O A:ILE134 4.9 41.2 1.0 N A:SER135 5.0 40.5 1.0 CG A:HIS139 5.0 36.6 1.0

Chlorine binding site 2 out of 3 in the Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline


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 7-Chlor-2-Cyano-Iso- Tetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1210 b:62.4 occ:1.00 CA A:SER2 3.7 56.9 1.0 N A:ARG3 3.8 54.8 1.0 C A:SER2 4.0 55.1 1.0 CB A:SER2 4.2 57.6 1.0 CB A:ARG3 4.4 56.4 1.0 CA A:ARG3 4.6 54.3 1.0 O A:SER2 4.9 54.3 1.0 N A:SER2 5.0 56.5 1.0

Chlorine binding site 3 out of 3 in the Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tet Repressor Class D in Complex with 7-Chlor-2-Cyano-Iso- Tetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:54.2 occ:1.00 N A:LEU4 3.1 51.8 1.0 O A:HOH2002 3.6 39.4 1.0 CB A:LEU4 3.8 50.2 1.0 CA A:LEU4 3.8 50.5 1.0 C A:ARG3 4.1 53.1 1.0 CA A:ARG3 4.2 54.3 1.0 NE A:ARG3 4.2 62.5 1.0 C A:LEU4 4.2 49.9 1.0 CG A:LEU4 4.2 50.5 1.0 CD A:ARG3 4.4 60.1 1.0 N A:ASN5 4.5 50.8 1.0 CG A:ARG3 4.6 58.4 1.0 O A:SER2 4.6 54.3 1.0 O A:LEU4 4.8 49.2 1.0 CD1 A:LEU4 4.9 45.4 1.0 CB A:ARG3 4.9 56.4 1.0

G.Volkers, L.Petruschka, W.Hinrichs. Recognition of Drug Degradation Products By Target Proteins: Isotetracycline Binding to Tet Repressor. J.Med.Chem. V. 54 5108 2011.
ISSN: ISSN 0022-2623
PubMed: 21699184
DOI: 10.1021/JM200332E