Chlorine in PDB 6rcr: Tetr(D) H100A Mutant in Complex with Doxycycline and Magnesium

The structure of Tetr(D) H100A Mutant in Complex with Doxycycline and Magnesium, PDB code: 6rcr 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)	31.94 / 2.05
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.291, 68.291, 179.612, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.7

The structure of Tetr(D) H100A Mutant in Complex with Doxycycline and Magnesium also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Tetr(D) H100A Mutant in Complex with Doxycycline and Magnesium (pdb code 6rcr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Tetr(D) H100A Mutant in Complex with Doxycycline and Magnesium, PDB code: 6rcr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Tetr(D) H100A Mutant in Complex with Doxycycline 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) H100A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:47.8 occ:1.00 N A:LEU4 3.2 46.5 1.0 NH2 A:ARG3 3.4 55.1 1.0 CB A:LEU4 3.8 45.3 1.0 CA A:LEU4 3.8 47.1 1.0 C A:LEU4 4.0 48.2 1.0 CD A:ARG3 4.1 55.1 1.0 C A:ARG3 4.2 46.5 1.0 CA A:ARG3 4.2 50.5 1.0 N A:ASN5 4.3 47.0 1.0 CG A:LEU4 4.4 46.0 1.0 CG A:ARG3 4.5 54.6 1.0 CZ A:ARG3 4.5 57.5 1.0 O A:LEU4 4.5 51.6 1.0 O A:SER2 4.7 49.6 1.0 O A:HOH522 4.8 40.6 1.0 NE A:ARG3 4.8 57.4 1.0 CB A:ARG3 5.0 53.0 1.0

Chlorine binding site 2 out of 5 in the Tetr(D) H100A Mutant in Complex with Doxycycline 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) H100A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:68.5 occ:1.00 N A:GLU7 3.4 48.3 1.0 ND2 A:ASN5 3.5 52.8 1.0 N A:ARG6 3.6 47.3 1.0 CG A:ASN5 3.7 49.6 1.0 CB A:ASN5 3.8 48.0 1.0 CB A:GLU7 3.8 53.8 1.0 CB A:ARG6 3.9 52.2 1.0 O A:HOH478 4.1 50.5 1.0 CA A:ARG6 4.1 49.5 1.0 CA A:GLU7 4.2 50.5 1.0 C A:ASN5 4.2 46.2 1.0 C A:ARG6 4.2 49.4 1.0 OD1 A:ASN5 4.3 50.1 1.0 CA A:ASN5 4.5 47.9 1.0 OE1 A:GLU7 4.9 65.0 1.0

Chlorine binding site 3 out of 5 in the Tetr(D) H100A Mutant in Complex with Doxycycline 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) H100A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:67.5 occ:1.00 O A:HOH481 3.4 53.1 1.0 N A:THR27 3.5 56.0 1.0 OG1 A:THR27 3.7 54.5 1.0 O A:HOH407 3.8 65.4 1.0 CA A:THR26 3.8 58.8 1.0 O A:HOH463 3.8 66.9 1.0 CB A:THR26 4.0 60.4 1.0 CG2 A:THR27 4.1 55.9 1.0 C A:THR26 4.1 54.2 1.0 CB A:LYS48 4.1 53.8 1.0 CB A:THR27 4.3 56.6 1.0 CA A:THR27 4.5 55.0 1.0 CG2 A:THR26 4.5 61.1 1.0 CG A:LYS48 4.6 56.6 1.0 O A:LEU25 4.7 70.0 1.0 CD A:LYS48 4.7 59.1 1.0 N A:LYS48 4.9 50.6 1.0 CA A:LYS48 5.0 51.4 1.0

Chlorine binding site 4 out of 5 in the Tetr(D) H100A Mutant in Complex with Doxycycline 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) H100A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:52.0 occ:1.00 N A:ARG3 3.4 50.8 1.0 CA A:SER2 3.7 54.6 1.0 C A:SER2 3.8 50.9 1.0 CB A:SER2 4.0 55.7 1.0 CB A:ARG3 4.3 53.0 1.0 CA A:ARG3 4.3 50.5 1.0 O A:SER2 4.8 49.6 1.0

Chlorine binding site 5 out of 5 in the Tetr(D) H100A Mutant in Complex with Doxycycline 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) H100A Mutant in Complex with Doxycycline and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:75.0 occ:1.00 N A:SER2 3.2 53.2 1.0 O A:HOH438 3.6 51.7 1.0 O A:GLY35 3.8 46.5 1.0 O A:HOH458 4.0 48.4 1.0 CA A:SER2 4.1 54.6 1.0 O A:LEU34 4.1 52.9 1.0 CA A:GLY35 4.3 48.3 1.0 C A:GLY35 4.5 47.0 1.0 CB A:SER2 4.6 55.7 1.0 C A:LEU34 5.0 51.7 1.0

W.Hinrichs, G.J.Palm, L.Berndt, B.Girbardt. Tetr(D) H100A Mutant in Complex with Doxycycline and Magnesium To Be Published.