Chlorine in PDB 2o7o: Crystal Structure Analysis of Tetr(D) Complex with Doxycycline

The structure of Crystal Structure Analysis of Tetr(D) Complex with Doxycycline, PDB code: 2o7o was solved by A.Aleksandrov, J.Proft, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.34 / 1.89
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.830, 65.830, 179.502, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.3

The structure of Crystal Structure Analysis of Tetr(D) Complex with Doxycycline also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure Analysis of Tetr(D) Complex with Doxycycline (pdb code 2o7o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure Analysis of Tetr(D) Complex with Doxycycline, PDB code: 2o7o:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure Analysis of Tetr(D) Complex with Doxycycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Tetr(D) Complex with Doxycycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:38.3 occ:1.00 N A:LEU4 2.9 37.3 1.0 CA A:LEU4 3.5 37.5 1.0 CB A:LEU4 3.5 37.0 1.0 C A:LEU4 3.8 39.5 1.0 C A:ARG3 3.9 38.4 1.0 N A:ASN5 4.0 39.6 1.0 CA A:ARG3 4.1 38.6 1.0 CD A:ARG3 4.1 46.8 1.0 NE A:ARG3 4.1 48.7 1.0 CG A:LEU4 4.2 34.3 1.0 O A:LEU4 4.4 38.5 1.0 CG A:ARG3 4.6 42.0 1.0 O A:SER2 4.6 37.8 1.0 CB A:ARG3 4.9 40.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure Analysis of Tetr(D) Complex with Doxycycline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Tetr(D) Complex with Doxycycline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:40.1 occ:1.00 OG A:SER74 3.0 32.4 1.0 N A:SER74 3.2 31.6 1.0 CB A:SER74 3.5 30.7 1.0 CB A:SER77 3.6 31.8 1.0 CA A:SER74 4.0 31.4 1.0 CG A:GLU73 4.1 33.6 1.0 CA A:GLU73 4.1 33.9 1.0 OG A:SER77 4.1 31.7 1.0 C A:GLU73 4.1 31.8 1.0 O A:GLY72 4.7 39.1 1.0 CB A:GLU73 4.7 33.6 1.0 O A:SER74 4.8 29.1 1.0 C A:SER74 4.9 31.4 1.0 CA A:SER77 5.0 29.6 1.0

A.Aleksandrov, J.Proft, W.Hinrichs, T.Simonson. Protonation Patterns in Tetracycline:Tet Repressor Recognition: Simulations and Experiments Chembiochem V. 8 675 2007.
ISSN: ISSN 1439-4227
PubMed: 17361981
DOI: 10.1002/CBIC.200600535