Calcium in PDB 7qh1: Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease

The structure of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease, PDB code: 7qh1 was solved by P.M.Leonard, D.Davies, T.D.Pallin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.73 / 2.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	120.98, 44.52, 161.71, 90, 100.61, 90
R / Rfree (%)	25.6 / 30.1

The structure of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Zinc	(Zn)	4 atoms

The binding sites of Calcium atom in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease (pdb code 7qh1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease, PDB code: 7qh1:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:41.0 occ:1.00 OE1 A:GLU175 2.3 43.8 1.0 OD2 A:ASP136 2.3 52.1 1.0 OE1 A:GLU172 2.3 49.2 1.0 O A:LEU185 2.8 47.2 1.0 OD1 A:ASP183 3.0 38.3 1.0 CD A:GLU175 3.4 45.7 1.0 CG A:ASP136 3.4 52.0 1.0 CD A:GLU172 3.5 47.8 1.0 C A:LEU185 3.6 45.5 1.0 CG A:ASP183 3.7 41.0 1.0 OD2 A:ASP183 3.7 45.6 1.0 O A:HOH502 3.9 33.8 1.0 CB A:ASP136 4.0 50.6 1.0 OE2 A:GLU172 4.0 45.0 1.0 OE2 A:GLU175 4.0 48.3 1.0 N A:LEU185 4.3 41.0 1.0 CA A:ILE186 4.3 44.6 1.0 N A:ILE186 4.3 46.4 1.0 N A:GLY187 4.4 40.0 1.0 OD1 A:ASP136 4.5 58.8 1.0 CA A:LEU185 4.5 41.7 1.0 CG A:GLU175 4.5 45.3 1.0 CG A:GLU172 4.7 46.3 1.0 C A:ILE186 4.9 42.7 1.0 CB A:LEU185 4.9 43.0 1.0

Calcium binding site 2 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:32.0 occ:1.00 OH A:TYR217 2.6 37.2 1.0 ND1 A:HIS224 3.2 42.4 1.0 CE1 A:HIS224 3.6 42.5 1.0 CZ A:TYR217 3.7 45.6 1.0 N A:ASP221 3.9 39.5 1.0 CE1 A:TYR217 4.0 50.5 1.0 CA A:ILE220 4.4 38.0 1.0 CG1 A:ILE220 4.5 37.5 1.0 CG A:HIS224 4.5 41.4 1.0 CB A:ASP221 4.5 36.5 1.0 C A:ILE220 4.6 37.5 1.0 CA A:ASP221 4.8 37.9 1.0 NE2 A:HIS224 4.9 42.6 1.0 CE2 A:TYR217 5.0 48.4 1.0 CB A:ILE220 5.0 37.5 1.0

Calcium binding site 3 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:81.7 occ:1.00 OE1 B:GLU172 2.3 32.2 1.0 OE1 B:GLU175 2.4 49.4 1.0 OD2 B:ASP136 2.5 48.7 1.0 O B:LEU185 2.7 48.2 1.0 OD1 B:ASP183 2.8 32.0 1.0 CD B:GLU175 3.4 49.2 1.0 CD B:GLU172 3.4 37.6 1.0 C B:LEU185 3.5 42.0 1.0 CG B:ASP136 3.5 48.6 1.0 CG B:ASP183 3.6 35.3 1.0 OD2 B:ASP183 3.6 31.4 1.0 OE2 B:GLU172 3.9 41.7 1.0 OE2 B:GLU175 4.0 52.2 1.0 CB B:ASP136 4.0 46.4 1.0 N B:LEU185 4.2 34.7 1.0 N B:ILE186 4.3 41.6 1.0 CA B:ILE186 4.4 42.0 1.0 CA B:LEU185 4.4 38.5 1.0 CG B:GLU175 4.5 47.5 1.0 N B:GLY187 4.5 42.4 1.0 OD1 B:ASP136 4.6 51.6 1.0 CG B:GLU172 4.7 40.1 1.0 CB B:LEU185 4.8 39.4 1.0 C B:ILE186 4.9 44.6 1.0

Calcium binding site 4 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:37.4 occ:1.00 OH B:TYR217 3.0 47.5 1.0 CD2 B:HIS224 3.3 45.0 1.0 N B:ASP221 3.8 43.7 1.0 NE2 B:HIS224 3.9 47.0 1.0 CZ B:TYR217 4.1 46.2 1.0 CG1 B:ILE220 4.3 35.0 1.0 CA B:ILE220 4.3 37.8 1.0 CB B:ASP221 4.4 41.5 1.0 CG B:HIS224 4.4 43.2 1.0 CE2 B:TYR217 4.5 45.0 1.0 C B:ILE220 4.5 41.3 1.0 CA B:ASP221 4.7 41.3 1.0 O B:GLY219 4.8 40.9 1.0 CB B:ILE220 4.9 35.3 1.0

Calcium binding site 5 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca403 b:35.7 occ:1.00 OE1 C:GLU172 2.2 40.4 1.0 OE1 C:GLU175 2.4 55.4 1.0 O C:LEU185 2.7 38.4 1.0 OD2 C:ASP136 2.9 42.3 1.0 OD1 C:ASP183 3.2 37.1 1.0 CG C:ASP136 3.3 41.4 1.0 CD C:GLU172 3.4 36.3 1.0 C C:LEU185 3.5 34.5 1.0 CD C:GLU175 3.6 55.8 1.0 CB C:ASP136 3.7 39.9 1.0 CG C:ASP183 4.0 33.5 1.0 OD1 C:ASP136 4.0 41.5 1.0 OD2 C:ASP183 4.0 33.0 1.0 OE2 C:GLU172 4.0 35.8 1.0 CA C:ILE186 4.1 30.5 1.0 N C:ILE186 4.2 30.9 1.0 N C:LEU185 4.2 32.2 1.0 OE2 C:GLU175 4.2 56.9 1.0 O C:HOH502 4.3 29.7 1.0 N C:GLY187 4.4 29.4 1.0 CA C:LEU185 4.4 34.2 1.0 CG C:GLU172 4.6 34.5 1.0 CG C:GLU175 4.7 52.1 1.0 C C:ILE186 4.7 30.7 1.0 CB C:LEU185 5.0 34.5 1.0

Calcium binding site 6 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca404 b:33.3 occ:1.00 OH C:TYR217 3.0 39.2 1.0 ND1 C:HIS224 3.2 35.2 1.0 CE1 C:HIS224 3.6 36.1 1.0 N C:ASP221 3.8 27.8 1.0 CZ C:TYR217 4.2 40.3 1.0 CA C:ILE220 4.4 27.1 1.0 CG1 C:ILE220 4.4 27.5 1.0 CB C:ASP221 4.5 32.5 1.0 CG C:HIS224 4.5 34.7 1.0 C C:ILE220 4.6 26.4 1.0 CE1 C:TYR217 4.7 40.5 1.0 CA C:ASP221 4.7 29.7 1.0 NH1 C:ARG208 4.8 81.1 1.0 NE2 C:HIS224 4.9 34.6 1.0 O C:GLY219 5.0 29.7 1.0

Calcium binding site 7 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca403 b:29.4 occ:1.00 OE1 D:GLU172 2.0 44.9 1.0 OE1 D:GLU175 2.0 58.2 1.0 OD1 D:ASP183 2.8 32.2 1.0 CD D:GLU175 3.0 56.0 1.0 CD D:GLU172 3.1 42.1 1.0 O D:LEU185 3.1 32.0 1.0 OD2 D:ASP136 3.2 32.3 1.0 CG D:ASP136 3.6 35.2 1.0 OE2 D:GLU172 3.6 40.7 1.0 OE2 D:GLU175 3.7 58.0 1.0 CG D:ASP183 3.8 34.7 1.0 CB D:ASP136 3.9 33.1 1.0 C D:LEU185 3.9 26.7 1.0 OD2 D:ASP183 4.0 32.6 1.0 CG D:GLU175 4.0 49.2 1.0 OD1 D:ASP136 4.2 37.5 1.0 N D:LEU185 4.3 24.4 1.0 CG D:GLU172 4.4 40.6 1.0 N D:ILE186 4.6 25.7 1.0 CA D:ILE186 4.7 26.9 1.0 CA D:LEU185 4.7 25.2 1.0 N D:GLY187 4.8 27.2 1.0 N D:PHE184 4.9 29.5 1.0 CB D:GLU175 5.0 42.1 1.0

Calcium binding site 8 out of 8 in the Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca404 b:35.5 occ:1.00 OH D:TYR217 3.2 41.4 1.0 ND1 D:HIS224 3.4 40.3 1.0 N D:ASP221 3.7 33.9 1.0 CE1 D:HIS224 3.8 39.5 1.0 CB D:ASP221 4.3 36.7 1.0 CZ D:TYR217 4.3 41.8 1.0 CA D:ILE220 4.3 31.8 1.0 C D:ILE220 4.5 31.7 1.0 CA D:ASP221 4.6 35.0 1.0 O D:GLY219 4.6 33.2 1.0 CE2 D:TYR217 4.6 41.3 1.0 CG D:HIS224 4.7 39.0 1.0 CG1 D:ILE220 4.7 29.4 1.0

M.Everett, D.Davies, S.Leiris, M.Zalacain, N.Sprynski, M.Lemonnier, A.Llanos, C.Lozano, L.Beyria, J.Castandet, J.Denis-Docquier, C.Larock, T.D.Pallin, A.Cridland, T.Blench. Discovery and Development of A Novel Inhaled Antivirulence Therapy For the Treatment of Pseudomonas Aeruginosa Infections in Patients with Chronic Respiratory Disease To Be Published.