Chlorine in PDB 4v2g: Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline

The structure of Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline, PDB code: 4v2g was solved by S.Werten, 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)	64.74 / 2.71
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.249, 69.249, 182.373, 90.00, 90.00, 90.00
R / Rfree (%)	17.464 / 25.156

The structure of Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline (pdb code 4v2g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline, PDB code: 4v2g:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl222 b:62.2 occ:1.00 CL7 A:ITC222 0.0 62.2 1.0 C7 A:ITC222 1.7 61.9 1.0 C8 A:ITC222 2.6 59.9 1.0 C6A A:ITC222 2.7 54.5 1.0 C6 A:ITC222 3.4 46.1 1.0 C6' A:ITC222 3.5 40.9 1.0 C5A A:ITC222 3.6 42.3 1.0 NE2 A:HIS139 3.7 34.2 1.0 C9 A:ITC222 3.9 56.1 1.0 CB A:SER138 3.9 25.9 1.0 C6B A:ITC222 3.9 54.2 1.0 CD2 A:HIS139 4.1 30.5 1.0 OG A:SER135 4.1 34.7 1.0 CA A:SER135 4.2 28.8 1.0 C5B A:ITC222 4.2 39.8 1.0 OG A:SER138 4.3 30.5 1.0 CB A:SER135 4.3 30.5 1.0 C10 A:ITC222 4.4 58.5 1.0 CE1 A:HIS139 4.6 33.4 1.0 O A:SER135 4.7 28.2 1.0 O6 A:ITC222 4.7 46.3 1.0 OE2 B:GLU147 4.8 73.8 1.0 C11 A:ITC222 4.9 48.5 1.0 CE B:MET177 4.9 86.5 1.0 C12 A:ITC222 4.9 37.9 1.0 C A:SER135 4.9 26.6 1.0 C5 A:ITC222 4.9 39.5 1.0

Chlorine binding site 2 out of 2 in the Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetracycline Repressor Tetr(D) Bound to Chlortetracycline and Iso-Chlortetracycline within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl222 b:53.9 occ:1.00 CL7 B:CTC222 0.0 53.9 1.0 C7 B:CTC222 1.8 41.3 1.0 C8 B:CTC222 2.7 43.7 1.0 C6A B:CTC222 2.8 36.6 1.0 C6' B:CTC222 2.9 41.4 1.0 C6 B:CTC222 3.1 38.4 1.0 O6 B:CTC222 3.3 43.8 1.0 CD1 A:LEU170 3.4 30.7 1.0 C9 B:CTC222 4.0 42.6 1.0 C6B B:CTC222 4.1 37.6 1.0 CD1 B:LEU117 4.2 26.2 1.0 CB A:ALA173 4.3 33.9 1.0 CD2 B:LEU131 4.4 24.0 1.0 C10 B:CTC222 4.5 40.5 1.0 C5A B:CTC222 4.7 33.1 1.0 CG A:LEU170 4.9 30.3 1.0

S.Werten, D.Dalm, G.J.Palm, C.C.Grimm, W.Hinrichs. Tetracycline Repressor Allostery Does Not Depend on Divalent Metal Recognition. Biochemistry 2014.
ISSN: ESSN 1520-4995
PubMed: 25432019
DOI: 10.1021/BI5012805