Chlorine in PDB 6qjw: Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium

The structure of Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium, PDB code: 6qjw 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)	34.09 / 2.10
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.138, 68.138, 180.917, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 29

The structure of Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline 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 7-Chlortetracycline and Magnesium (pdb code 6qjw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium, PDB code: 6qjw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline 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 7-Chlortetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:60.9 occ:1.00 CL7 A:CTC301 0.0 60.9 1.0 C7 A:CTC301 1.7 49.8 1.0 C8 A:CTC301 2.6 52.8 1.0 C6A A:CTC301 2.8 44.4 1.0 C6' A:CTC301 2.9 39.6 1.0 C6 A:CTC301 3.2 41.1 1.0 O6 A:CTC301 3.3 44.2 1.0 CD1 A:LEU131 3.7 27.9 1.0 C9 A:CTC301 4.0 54.2 1.0 C6B A:CTC301 4.1 47.0 1.0 CD2 A:LEU117 4.4 33.6 1.0 C10 A:CTC301 4.5 49.7 1.0 C5A A:CTC301 4.7 37.9 1.0 O A:HOH490 4.7 50.3 1.0 CD1 A:LEU117 4.9 33.5 1.0

Chlorine binding site 2 out of 6 in the Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline 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 7-Chlortetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:30.5 occ:1.00 N A:LEU4 3.0 29.1 1.0 NH2 A:ARG3 3.7 48.3 1.0 CA A:ARG3 3.7 32.8 1.0 C A:ARG3 3.8 30.1 1.0 CA A:LEU4 4.0 29.1 1.0 NE A:ARG3 4.0 42.8 1.0 CB A:LEU4 4.0 28.8 1.0 O A:SER2 4.2 30.2 1.0 CG A:LEU4 4.3 28.6 1.0 C A:LEU4 4.3 30.5 1.0 CZ A:ARG3 4.3 43.8 1.0 N A:ASN5 4.4 29.8 1.0 CB A:ARG3 4.6 36.0 1.0 N A:ARG3 4.8 32.9 1.0 CD1 A:LEU4 4.9 28.7 1.0 CG A:ARG3 4.9 39.7 1.0 C A:SER2 4.9 33.3 1.0

Chlorine binding site 3 out of 6 in the Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline 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 7-Chlortetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:39.5 occ:1.00 OG A:SER74 3.2 21.1 1.0 N A:SER74 3.2 23.1 1.0 CB A:SER74 3.4 22.4 1.0 CB A:SER77 3.6 22.1 1.0 CA A:SER74 4.0 22.5 1.0 CG A:GLU73 4.1 24.6 1.0 CA A:GLU73 4.1 25.6 1.0 C A:GLU73 4.1 24.5 1.0 OG A:SER77 4.1 21.8 1.0 CB A:GLU73 4.7 24.8 1.0 O A:GLY72 4.8 30.9 1.0 CA A:SER77 4.9 22.0 1.0 O A:SER74 4.9 21.6 1.0 C A:SER74 5.0 22.1 1.0

Chlorine binding site 4 out of 6 in the Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline 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 7-Chlortetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:55.1 occ:1.00 ND2 A:ASN5 3.2 27.0 1.0 N A:GLU7 3.3 28.7 0.5 N A:GLU7 3.4 28.4 0.5 CB A:GLU7 3.6 30.4 0.5 CG A:GLU7 3.6 30.8 0.5 CB A:ASN5 3.8 29.6 1.0 CB A:GLU7 3.8 30.9 0.5 CB A:ARG6 3.9 30.5 1.0 N A:ARG6 4.0 27.2 1.0 CG A:ASN5 4.0 30.9 1.0 CA A:GLU7 4.1 29.0 0.5 CA A:GLU7 4.2 28.8 0.5 CA A:ARG6 4.2 28.6 1.0 C A:ARG6 4.3 27.9 1.0 O A:HOH466 4.4 34.8 1.0 C A:ASN5 4.4 28.2 1.0 O A:HOH459 4.6 45.5 1.0 CA A:ASN5 4.6 28.9 1.0

Chlorine binding site 5 out of 6 in the Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:44.6 occ:1.00 O A:HOH482 2.9 35.0 1.0 O A:HOH475 3.1 31.3 1.0 N A:THR27 3.3 28.9 1.0 OG1 A:THR27 3.5 29.8 1.0 CA A:THR26 3.7 30.3 1.0 CB A:THR26 3.9 31.5 1.0 C A:THR26 3.9 28.9 1.0 CB A:LYS48 4.1 29.9 1.0 CG2 A:THR27 4.2 27.4 1.0 CB A:THR27 4.2 27.7 1.0 CA A:THR27 4.3 28.8 1.0 CG2 A:THR26 4.3 33.6 1.0 CD A:LYS48 4.4 30.5 1.0 O A:HOH470 4.6 40.4 1.0 CG A:LYS48 4.6 30.3 1.0 N A:LYS48 4.8 28.0 1.0 O A:HOH503 4.8 27.3 1.0 O A:LEU25 4.8 36.1 1.0 CA A:LYS48 4.9 28.4 1.0 N A:ARG28 4.9 30.6 1.0 N A:THR26 5.0 31.1 1.0

Chlorine binding site 6 out of 6 in the Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:63.8 occ:1.00 O A:HOH503 2.8 27.3 1.0 O A:HOH496 3.1 49.4 1.0 OG1 A:THR26 3.1 29.4 1.0 CG2 A:THR26 3.4 33.6 1.0 CB A:THR26 3.5 31.5 1.0 CB A:ARG28 3.8 34.0 1.0 CG A:LYS29 3.9 33.0 1.0 CE A:LYS29 4.1 37.1 1.0 CG A:ARG28 4.3 35.8 1.0 CD A:LYS29 4.4 35.1 1.0 NZ A:LYS29 4.5 39.3 1.0 CD A:ARG28 4.5 39.2 1.0 N A:LYS29 4.5 27.6 1.0 O A:HOH489 4.6 46.2 1.0 O A:HOH482 4.6 35.0 1.0 CA A:ARG28 4.9 31.5 1.0 CB A:LYS29 5.0 30.1 1.0 CA A:THR26 5.0 30.3 1.0

W.Hinrichs, G.J.Palm. Tetr(D) T103A Mutant in Complex with 7-Chlortetracycline and Magnesium To Be Published.