Chlorine in PDB 8wdq: Crystal Structure of Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate

The structure of Crystal Structure of Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate, PDB code: 8wdq was solved by V.K.Yadav, S.Maji, M.Shukla, S.Bhattacharyya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.75 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.62, 88.69, 97.71, 90, 90, 90
R / Rfree (%)	17.2 / 22

The structure of Crystal Structure of Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate (pdb code 8wdq). 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 of Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate, PDB code: 8wdq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate


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 Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:20.6 occ:1.00 NH1 A:ARG187 3.0 15.7 1.0 NE B:ARG188 3.2 18.9 1.0 O A:HOH445 3.3 18.7 1.0 NH2 B:ARG188 3.3 18.8 1.0 O A:HOH529 3.3 23.5 1.0 N A:ILE186 3.4 15.6 1.0 CA A:GLY185 3.6 18.9 1.0 O A:ILE186 3.6 19.7 1.0 CZ B:ARG188 3.7 19.6 1.0 CB B:PHE161 3.7 26.8 1.0 CB B:PHE159 3.8 24.3 1.0 CD2 B:PHE159 3.9 22.9 1.0 CD1 B:PHE161 4.0 26.1 1.0 CG B:PHE161 4.0 28.0 1.0 C A:GLY185 4.0 19.1 1.0 CZ A:ARG187 4.2 16.5 1.0 CG B:PHE159 4.3 26.5 1.0 CD B:ARG188 4.3 17.2 1.0 O A:HOH455 4.4 22.0 1.0 O B:PHE159 4.4 27.5 1.0 CA A:ILE186 4.4 16.0 1.0 C A:ILE186 4.4 21.4 1.0 NH2 A:ARG187 4.6 16.1 1.0 CA B:PHE159 4.7 23.0 1.0 O A:ALA184 4.7 25.2 1.0 N B:PHE159 4.8 21.2 1.0 N A:GLY185 4.8 20.6 1.0 C B:PHE159 4.8 25.8 1.0 CB A:ILE186 4.9 17.1 1.0 CE1 B:PHE161 4.9 27.7 1.0 CA B:PHE161 4.9 31.2 1.0 NH1 B:ARG188 5.0 16.3 1.0 CE2 B:PHE159 5.0 23.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate


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 Pseudomonas Aeruginosa Suhb in Complex with D- Myo-Inositol-1-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:19.5 occ:1.00 NH1 B:ARG187 3.2 12.8 1.0 O B:HOH507 3.2 16.1 1.0 NH2 A:ARG188 3.2 17.6 1.0 NE A:ARG188 3.3 16.8 1.0 O B:HOH551 3.3 20.2 1.0 N B:ILE186 3.4 14.8 1.0 CA B:GLY185 3.5 17.2 1.0 CB A:PHE159 3.7 21.5 1.0 CZ A:ARG188 3.7 19.2 1.0 O B:ILE186 3.7 17.1 1.0 CB A:PHE161 3.7 22.7 1.0 CD2 A:PHE159 3.9 18.0 1.0 CD1 A:PHE161 4.0 24.0 1.0 C B:GLY185 4.0 15.0 1.0 CG A:PHE161 4.0 22.8 1.0 CG A:PHE159 4.2 22.2 1.0 CZ B:ARG187 4.4 16.3 1.0 CD A:ARG188 4.4 14.5 1.0 O A:PHE159 4.4 21.0 1.0 CA B:ILE186 4.5 17.3 1.0 C B:ILE186 4.5 18.1 1.0 O B:ALA184 4.5 20.6 1.0 O B:HOH483 4.7 18.2 1.0 CA A:PHE159 4.7 24.0 1.0 N B:GLY185 4.7 17.4 1.0 NH2 B:ARG187 4.7 14.0 1.0 N A:PHE159 4.8 23.3 1.0 C A:PHE159 4.9 25.1 1.0 CE1 A:PHE161 4.9 27.8 1.0 CD2 A:PHE161 4.9 26.8 1.0 CB B:ILE186 5.0 14.3 1.0 CA A:PHE161 5.0 24.2 1.0 CE2 A:PHE159 5.0 18.9 1.0

V.K.Yadav, S.Maji, M.Shukla, S.Bhattacharyya. Crystal Structure of Pseudomonas Aeruginosa Suhb in Complex with D-Myo-Inositol-1-Phosphate To Be Published.