Chlorine in PDB 3fxu: Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate

The structure of Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate, PDB code: 3fxu was solved by D.Monferrer, T.Tralau, M.A.Kertesz, A.Kikhney, D.Svergun, I.Uson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.75 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.220, 52.110, 109.280, 90.00, 111.51, 90.00
R / Rfree (%)	22.3 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate (pdb code 3fxu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate, PDB code: 3fxu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5002 b:60.4 occ:1.00 C A:ALA46 3.6 14.4 1.0 N A:ALA46 3.7 16.2 1.0 N A:PRO47 3.8 14.1 1.0 CA A:ALA46 3.8 15.4 1.0 O A:GLU41 3.8 16.0 1.0 O A:ALA46 3.9 14.2 1.0 C A:LYS45 4.1 17.1 1.0 CD A:PRO47 4.1 13.9 1.0 C A:GLU41 4.2 17.7 1.0 CB A:GLU41 4.3 16.5 1.0 CA A:PRO47 4.5 13.5 1.0 CA A:LYS45 4.6 17.7 1.0 OD1 A:ASP42 4.6 24.8 1.0 N A:ASP42 4.7 18.6 1.0 O A:LYS45 4.7 16.9 1.0 CG A:PRO47 4.8 13.3 1.0 CB A:PRO47 4.8 14.0 1.0 CA A:GLU41 4.9 16.6 1.0 CA A:ASP42 4.9 19.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5001 b:46.2 occ:1.00 NE B:ARG289 2.8 14.7 1.0 O B:HOH316 3.5 24.5 1.0 NH2 B:ARG289 3.5 14.5 1.0 CZ B:ARG289 3.6 14.9 1.0 CD B:ARG289 3.7 13.7 1.0 O B:ALA285 4.0 6.4 1.0 CA B:GLY286 4.0 7.1 1.0 N B:GLY286 4.0 6.3 1.0 C B:ALA285 4.1 6.1 1.0 CB B:ARG289 4.2 8.5 1.0 CB B:ALA285 4.5 5.3 1.0 CG B:ARG289 4.6 11.3 1.0 O B:HOH314 4.6 8.6 1.0 NH1 B:ARG289 4.9 12.1 1.0 CA B:ALA285 5.0 6.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Tsar in Complex with Its Effector P- Toluenesulfonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5003 b:62.3 occ:1.00 N B:ARG199 3.2 24.5 1.0 CD B:PRO198 3.5 25.9 1.0 CB B:ARG199 3.6 23.7 1.0 NE2 B:HIS150 3.6 19.1 0.5 CB B:ALA197 3.7 27.7 1.0 N B:PRO198 3.7 26.2 1.0 CD2 B:HIS150 3.9 20.0 1.0 CA B:ARG199 4.0 23.9 1.0 CB B:PRO198 4.0 25.8 1.0 CB B:ALA203 4.1 19.5 1.0 CG B:PRO198 4.1 26.0 1.0 C B:PRO198 4.1 25.4 1.0 CA B:PRO198 4.2 25.7 1.0 CG B:ARG199 4.2 24.9 1.0 C B:ALA197 4.3 26.6 1.0 CD B:ARG199 4.5 26.0 1.0 CA B:ALA197 4.5 27.0 1.0 CG1 B:ILE204 4.6 18.9 1.0 C B:ARG199 4.8 23.4 1.0 CE1 B:HIS150 4.9 19.1 0.5 N B:ILE204 5.0 19.0 1.0

D.Monferrer, T.Tralau, M.A.Kertesz, I.Dix, M.Sola, I.Uson. Structural Studies on the Full-Length Lysr-Type Regulator Tsar From Comamonas Testosteroni T-2 Reveal A Novel Open Conformation of the Tetrameric Lttr Fold Mol.Microbiol. V. 75 1199 2010.
ISSN: ISSN 0950-382X
PubMed: 20059681
DOI: 10.1111/J.1365-2958.2010.07043.X