Chlorine in PDB 2x9d: Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline

The structure of Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline, PDB code: 2x9d 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)	63.76 / 2.34
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.253, 68.253, 179.271, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 28

The binding sites of Chlorine atom in the Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline (pdb code 2x9d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline, PDB code: 2x9d:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline


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 Iso-7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1209 b:53.1 occ:1.00 CL7 A:ITC1209 0.0 53.1 1.0 C7 A:ITC1209 1.8 50.6 1.0 C8 A:ITC1209 2.7 51.2 1.0 C6A A:ITC1209 2.8 48.5 1.0 C6 A:ITC1209 3.4 46.1 1.0 C5A A:ITC1209 3.4 45.3 1.0 C6' A:ITC1209 3.6 44.8 1.0 NE2 A:HIS139 3.6 42.5 1.0 CB A:SER138 3.7 35.7 1.0 OG A:SER138 3.9 39.8 1.0 CA A:SER135 3.9 35.4 1.0 OG A:SER135 3.9 40.7 1.0 CD2 A:HIS139 4.0 38.7 1.0 C9 A:ITC1209 4.0 51.4 1.0 C6B A:ITC1209 4.0 48.5 1.0 CB A:SER135 4.1 36.5 1.0 C5B A:ITC1209 4.2 46.0 1.0 O A:SER135 4.4 33.8 1.0 CE1 A:HIS139 4.5 40.1 1.0 C10 A:ITC1209 4.5 50.4 1.0 C5 A:ITC1209 4.7 45.3 1.0 C A:SER135 4.7 34.1 1.0 O6 A:ITC1209 4.7 44.8 1.0 C12 A:ITC1209 4.8 47.9 1.0 O12 A:ITC1209 4.9 47.8 1.0 N A:SER135 4.9 35.5 1.0

Chlorine binding site 2 out of 5 in the Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline


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 Iso-7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1210 b:44.9 occ:1.00 N A:LEU4 3.1 47.5 1.0 O A:HOH2002 3.2 20.7 1.0 CB A:LEU4 3.9 44.1 1.0 CA A:LEU4 3.9 45.4 1.0 CA A:ARG3 4.0 51.0 1.0 C A:ARG3 4.0 49.0 1.0 C A:LEU4 4.3 44.9 1.0 N A:ASN5 4.4 45.3 1.0 CG A:LEU4 4.5 44.7 1.0 CB A:ARG3 4.6 52.8 1.0 O A:SER2 4.6 49.6 1.0 NE A:ARG3 4.7 56.7 1.0 CG A:ARG3 4.8 54.8 1.0 CD1 A:LEU4 4.9 38.7 1.0 O A:LEU4 4.9 44.5 1.0

Chlorine binding site 3 out of 5 in the Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline


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 Iso-7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1211 b:52.2 occ:1.00 OG A:SER74 3.1 44.6 1.0 N A:SER74 3.1 45.9 1.0 CB A:SER74 3.6 45.4 1.0 CB A:SER77 3.7 40.0 1.0 CA A:GLU73 3.9 47.8 1.0 CG A:GLU73 3.9 44.5 1.0 CA A:SER74 4.0 45.0 1.0 C A:GLU73 4.0 47.1 1.0 OG A:SER77 4.1 40.3 1.0 CB A:GLU73 4.5 46.0 1.0 O A:GLY72 4.7 52.5 1.0 O A:SER74 4.7 42.6 1.0 C A:SER74 4.9 42.7 1.0

Chlorine binding site 4 out of 5 in the Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1212 b:60.0 occ:1.00 O A:HOH2004 3.4 45.2 1.0 N A:GLU7 3.5 43.4 1.0 ND2 A:ASN5 3.6 48.4 1.0 CB A:ASN5 3.7 46.2 1.0 N A:ARG6 3.8 43.9 1.0 CB A:GLU7 3.9 46.0 1.0 CB A:ARG6 4.0 44.6 1.0 CG A:ASN5 4.1 47.7 1.0 CA A:ARG6 4.3 43.2 1.0 CA A:GLU7 4.3 44.2 1.0 C A:ASN5 4.4 43.7 1.0 C A:ARG6 4.4 42.9 1.0 CA A:ASN5 4.6 45.0 1.0 OE1 A:GLU7 5.0 54.1 1.0

Chlorine binding site 5 out of 5 in the Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tet Repressor (Class D) in Complex with Iso-7-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1213 b:52.9 occ:1.00 O A:LEU187 2.7 33.3 1.0 OE2 A:GLU191 2.8 36.6 1.0 CG A:GLU191 3.4 37.4 1.0 C A:LEU187 3.4 34.6 1.0 CD A:GLU191 3.4 36.5 1.0 CA A:LEU187 3.5 34.8 1.0 CB A:LEU187 3.6 35.7 1.0 CB A:LEU190 3.6 34.4 1.0 CD2 A:LEU190 3.7 34.8 1.0 CD2 A:LEU187 3.7 34.3 1.0 CG A:LEU190 3.7 34.7 1.0 N A:GLU191 4.1 35.0 1.0 CG A:LEU187 4.2 35.5 1.0 CB A:GLU191 4.5 36.5 1.0 CD A:ARG80 4.5 37.5 1.0 CG A:ARG80 4.5 38.2 1.0 NE A:ARG80 4.6 37.6 1.0 C A:LEU190 4.6 35.0 1.0 OE1 A:GLU191 4.6 39.7 1.0 CA A:LEU190 4.6 34.4 1.0 N A:HIS188 4.7 35.6 1.0 CA A:GLU191 4.7 35.5 1.0 N A:LEU187 5.0 34.9 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