Chlorine in PDB 6fpm: Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium

The structure of Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium, PDB code: 6fpm was solved by W.Hinrichs, G.J.Palm, L.Berndt, B.Girbardt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.21 / 1.85
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.710, 68.710, 180.470, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 26.7

The structure of Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium (pdb code 6fpm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium, PDB code: 6fpm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:39.6 occ:1.00 N A:LEU4 3.1 38.3 1.0 CA A:ARG3 3.9 44.7 1.0 NE A:ARG3 3.9 58.4 1.0 CB A:LEU4 3.9 36.6 1.0 CA A:LEU4 4.0 37.2 1.0 C A:ARG3 4.0 41.1 1.0 NH2 A:ARG3 4.1 64.3 1.0 O A:HOH402 4.2 52.1 1.0 O A:SER2 4.3 47.6 1.0 CG A:LEU4 4.3 36.9 1.0 C A:LEU4 4.4 38.8 1.0 CB A:ARG3 4.5 48.4 1.0 CZ A:ARG3 4.5 58.7 1.0 N A:ASN5 4.5 41.3 1.0 CG A:ARG3 4.7 53.5 1.0 CD A:ARG3 5.0 55.5 1.0 CD1 A:LEU4 5.0 36.4 1.0 N A:ARG3 5.0 48.1 1.0

Chlorine binding site 2 out of 4 in the Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:56.4 occ:1.00 OG A:SER74 3.0 37.8 1.0 N A:SER74 3.2 40.0 1.0 CB A:SER77 3.5 39.3 1.0 CB A:SER74 3.5 40.0 1.0 OG A:SER77 3.9 44.0 1.0 CA A:SER74 4.0 38.2 1.0 CG A:GLU73 4.0 45.6 1.0 CA A:GLU73 4.1 45.3 1.0 C A:GLU73 4.1 42.5 1.0 CB A:GLU73 4.7 43.6 1.0 CA A:SER77 4.8 39.1 1.0 O A:SER74 4.9 37.1 1.0 C A:SER74 4.9 39.4 1.0 O A:GLY72 5.0 51.4 1.0

Chlorine binding site 3 out of 4 in the Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:54.1 occ:1.00 ND2 A:ASN5 3.0 47.9 1.0 N A:GLU7 3.2 37.9 1.0 CB A:GLU7 3.5 47.5 1.0 CB A:ASN5 3.8 42.2 1.0 N A:ARG6 3.8 36.8 1.0 CG A:ASN5 3.8 44.9 1.0 CB A:ARG6 3.9 42.4 1.0 CA A:GLU7 3.9 41.2 1.0 C A:ARG6 4.2 36.4 1.0 CA A:ARG6 4.2 37.0 1.0 C A:ASN5 4.3 36.7 1.0 CA A:ASN5 4.6 40.9 1.0 CG A:ARG6 4.9 46.3 1.0 O A:ASN5 4.9 36.0 1.0 CG A:GLU7 5.0 52.4 1.0 OD1 A:ASN5 5.0 47.8 1.0

Chlorine binding site 4 out of 4 in the Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tetr(D) T103A Mutant in Complex with Tetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:49.2 occ:1.00 O A:HOH445 3.1 38.4 1.0 O A:HOH449 3.1 45.8 1.0 N A:THR27 3.2 33.8 1.0 OG1 A:THR27 3.4 35.6 1.0 CA A:THR26 3.6 37.1 1.0 CB A:THR26 3.7 38.9 1.0 C A:THR26 3.9 34.0 1.0 CB A:LYS48 4.0 35.5 1.0 CG2 A:THR27 4.1 34.9 1.0 CB A:THR27 4.1 34.7 1.0 CG2 A:THR26 4.1 41.0 1.0 CA A:THR27 4.2 34.1 1.0 O A:HOH415 4.2 44.5 1.0 CD A:LYS48 4.5 36.9 1.0 CG A:LYS48 4.7 35.9 1.0 N A:LYS48 4.8 32.9 1.0 N A:ARG28 4.8 37.8 1.0 O A:LEU25 4.9 44.9 1.0 CA A:LYS48 4.9 34.6 1.0 N A:THR26 5.0 38.0 1.0

S.Werten, J.Schneider, G.J.Palm, W.Hinrichs. Modular Organisation of Inducer Recognition and Allostery in the Tetracycline Repressor. Febs J. V. 283 2102 2016.
ISSN: ISSN 1742-4658
PubMed: 27028290
DOI: 10.1111/FEBS.13723