Chlorine in PDB 4zuy: Structure of TSI6 From Pseudomonas Aeruginosa

The structure of Structure of TSI6 From Pseudomonas Aeruginosa, PDB code: 4zuy was solved by J.C.Whitney, S.Sawai, H.Robinson, J.D.Mougous, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.97 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	54.511, 100.956, 93.098, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 23.6

The binding sites of Chlorine atom in the Structure of TSI6 From Pseudomonas Aeruginosa (pdb code 4zuy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of TSI6 From Pseudomonas Aeruginosa, PDB code: 4zuy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of TSI6 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of TSI6 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:47.3 occ:1.00 NZ A:LYS76 3.1 34.4 1.0 O A:HOH323 3.2 43.7 1.0 N B:THR85 3.4 64.9 1.0 CD A:LYS76 3.6 37.1 1.0 OG1 B:THR85 3.6 79.5 1.0 CG2 B:THR85 3.7 56.7 1.0 CE A:LYS76 3.8 37.3 1.0 CD B:ARG84 3.9 57.0 1.0 CA B:ARG84 3.9 46.5 1.0 CA A:ARG73 3.9 42.1 1.0 CD A:ARG73 4.0 42.8 1.0 CB A:ARG73 4.0 41.0 1.0 CB B:THR85 4.1 72.4 1.0 C B:ARG84 4.2 62.1 1.0 N A:ARG73 4.3 34.6 1.0 CA B:THR85 4.3 74.6 1.0 NE B:ARG84 4.5 68.6 1.0 CB B:ARG84 4.5 50.8 1.0 CG B:ARG84 4.6 54.6 1.0 O B:ILE83 4.6 41.4 1.0 CG A:ARG73 4.6 45.0 1.0 OG A:SER72 4.7 38.7 1.0 NH2 A:ARG73 4.7 64.8 1.0 C A:SER72 4.8 32.8 1.0 CG A:LYS76 4.9 31.4 1.0 OD1 A:ASP65 4.9 47.9 1.0

Chlorine binding site 2 out of 4 in the Structure of TSI6 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of TSI6 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:38.8 occ:1.00 O B:HOH321 3.1 42.1 1.0 O B:HOH336 3.1 45.4 1.0 NZ B:LYS76 3.2 34.3 1.0 N A:THR85 3.3 39.1 1.0 CD B:LYS76 3.6 31.1 1.0 OG1 A:THR85 3.8 44.5 1.0 CG2 A:THR85 3.9 39.6 1.0 CA A:ARG84 3.9 38.5 1.0 CE B:LYS76 3.9 33.9 1.0 CA B:ARG73 4.0 30.9 1.0 CB B:ARG73 4.0 30.6 1.0 CD B:ARG73 4.0 35.1 1.0 CD A:ARG84 4.0 33.6 1.0 C A:ARG84 4.1 39.5 1.0 O A:HOH319 4.1 34.7 1.0 NE A:ARG84 4.2 34.7 1.0 CB A:THR85 4.2 45.0 1.0 CA A:THR85 4.3 48.0 1.0 N B:ARG73 4.4 36.0 1.0 O A:HOH310 4.4 45.3 1.0 CB A:ARG84 4.5 34.9 1.0 CG B:ARG73 4.6 38.3 1.0 O A:ILE83 4.6 32.9 1.0 OG B:SER72 4.8 39.3 1.0 CG A:ARG84 4.8 35.5 1.0 C B:SER72 4.9 38.3 1.0 OD1 B:ASP65 4.9 40.3 1.0 N A:ARG84 5.0 37.4 1.0 CG B:LYS76 5.0 31.4 1.0

Chlorine binding site 3 out of 4 in the Structure of TSI6 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of TSI6 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:45.6 occ:1.00 NH2 A:ARG84 3.1 41.0 1.0 NH1 A:ARG84 3.4 36.6 1.0 CG A:LYS90 3.7 79.2 1.0 CZ A:ARG84 3.7 40.1 1.0 CD A:LYS90 4.1 85.3 1.0 O A:HOH311 4.1 61.1 1.0 CE A:LYS90 4.1 88.7 1.0 NH2 B:ARG73 4.1 49.1 1.0 O A:GLY88 4.4 52.5 1.0 CZ B:ARG73 5.0 44.0 1.0 N A:LYS90 5.0 51.2 1.0

Chlorine binding site 4 out of 4 in the Structure of TSI6 From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of TSI6 From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:95.2 occ:1.00 NH2 B:ARG73 3.0 49.1 1.0 OD2 B:ASP77 3.1 35.9 1.0 CG B:ASP77 3.7 39.2 1.0 OD1 B:ASP77 3.8 42.0 1.0 CZ B:ARG73 3.9 44.0 1.0 NE B:ARG73 3.9 33.0 1.0 OH B:TYR6 3.9 44.2 1.0 OH A:TYR80 4.0 34.7 1.0 CE1 B:TYR6 4.1 36.9 1.0 CZ B:TYR6 4.5 38.5 1.0 CB B:ASP77 4.9 32.5 1.0 NH1 A:ARG84 5.0 36.6 1.0

J.C.Whitney, D.Quentin, S.Sawai, M.Leroux, B.N.Harding, H.E.Ledvina, B.Q.Tran, H.Robinson, Y.A.Goo, D.R.Goodlett, S.Raunser, J.D.Mougous. An Interbacterial Nad(P)(+) Glycohydrolase Toxin Requires Elongation Factor Tu For Delivery to Target Cells. Cell V. 163 607 2015.
ISSN: ISSN 1097-4172
PubMed: 26456113
DOI: 10.1016/J.CELL.2015.09.027