Iodine in PDB 2xb5: Tet Repressor (Class D) in Complex with 7-Iodotetracycline

The structure of Tet Repressor (Class D) in Complex with 7-Iodotetracycline, PDB code: 2xb5 was solved by C.Kisker, W.Saenger, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.55 / 2.50
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.860, 68.860, 180.940, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 23

The structure of Tet Repressor (Class D) in Complex with 7-Iodotetracycline also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Iodine atom in the Tet Repressor (Class D) in Complex with 7-Iodotetracycline (pdb code 2xb5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Tet Repressor (Class D) in Complex with 7-Iodotetracycline, PDB code: 2xb5:

Iodine binding site 1 out of 1 in the Tet Repressor (Class D) in Complex with 7-Iodotetracycline


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Tet Repressor (Class D) in Complex with 7-Iodotetracycline within 5.0Å range: probe atom residue distance (Å) B Occ A:I222 b:38.7 occ:1.00 I7 A:I7T222 0.0 38.7 1.0 C7 A:I7T222 2.1 29.4 1.0 C8 A:I7T222 3.0 29.2 1.0 C61 A:I7T222 3.1 25.2 1.0 C6 A:I7T222 3.4 22.5 1.0 CG1 A:VAL113 4.1 24.2 1.0 CD1 A:LEU117 4.1 30.1 1.0 C9 A:I7T222 4.3 28.2 1.0 CD2 A:LEU117 4.3 26.0 1.0 CD2 A:LEU131 4.3 19.3 1.0 C1A A:I7T222 4.4 22.5 1.0 CG A:LEU117 4.5 29.2 1.0 C5A A:I7T222 4.8 20.1 1.0 C10 A:I7T222 4.8 23.1 1.0 CG A:LEU131 5.0 25.7 1.0

W.Hinrichs, C.Kisker, M.Duvel, A.Muller, K.Tovar, W.Hillen, W.Saenger. Structure of the Tet Repressor-Tetracycline Complex and Regulation of Antibiotic Resistance. Science V. 264 418 1994.
ISSN: ISSN 0036-8075
PubMed: 8153629
DOI: 10.1126/SCIENCE.8153629