Chlorine in PDB 4jvi: Crystal Structure of Pqsr Co-Inducer Binding Domain of Pseudomonas Aeruginosa with Inhibitor 3NH2-7CL-C9QZN

The structure of Crystal Structure of Pqsr Co-Inducer Binding Domain of Pseudomonas Aeruginosa with Inhibitor 3NH2-7CL-C9QZN, PDB code: 4jvi was solved by A.Ilangovan, P.Williams, J.Emsley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	118.441, 118.441, 115.409, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 26.3

The binding sites of Chlorine atom in the Crystal Structure of Pqsr Co-Inducer Binding Domain of Pseudomonas Aeruginosa with Inhibitor 3NH2-7CL-C9QZN (pdb code 4jvi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Pqsr Co-Inducer Binding Domain of Pseudomonas Aeruginosa with Inhibitor 3NH2-7CL-C9QZN, PDB code: 4jvi:

Chlorine binding site 1 out of 1 in the Crystal Structure of Pqsr Co-Inducer Binding Domain of Pseudomonas Aeruginosa with Inhibitor 3NH2-7CL-C9QZN


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 Pqsr Co-Inducer Binding Domain of Pseudomonas Aeruginosa with Inhibitor 3NH2-7CL-C9QZN within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:0.2 occ:1.00 CL A:QZN401 0.0 0.2 1.0 CAQ A:QZN401 1.8 97.2 1.0 CAG A:QZN401 2.7 89.2 1.0 CAE A:QZN401 2.8 80.5 1.0 CB A:ALA168 3.7 65.2 1.0 CD1 A:ILE149 3.8 70.6 1.0 OG1 A:THR265 4.0 83.2 1.0 CA A:PRO238 4.0 67.8 1.0 CAT A:QZN401 4.0 92.3 1.0 CAF A:QZN401 4.1 84.1 1.0 CB A:ALA102 4.1 80.2 1.0 CA A:ALA168 4.2 67.2 1.0 CB A:PRO238 4.3 59.6 1.0 N A:PRO238 4.3 73.8 1.0 CG A:PRO238 4.3 72.4 1.0 CG2 A:THR265 4.4 77.4 1.0 CG2 A:ILE149 4.5 70.6 1.0 N A:ALA168 4.5 77.5 1.0 CAU A:QZN401 4.6 94.7 1.0 O A:LYS167 4.6 94.0 1.0 C A:LYS167 4.7 66.5 1.0 CB A:THR265 4.8 84.9 1.0 C A:ALA237 4.8 73.9 1.0 O A:ALA102 4.8 78.1 1.0 CD A:PRO238 4.8 74.8 1.0 CG2 A:THR166 4.8 69.3 1.0 CG1 A:ILE149 4.9 66.3 1.0 O A:ALA237 4.9 86.5 1.0

A.Ilangovan, M.Fletcher, G.Rampioni, C.Pustelny, K.Rumbaugh, S.Heeb, M.Camara, A.Truman, S.R.Chhabra, J.Emsley, P.Williams. Structural Basis For Native Agonist and Synthetic Inhibitor Recognition By the Pseudomonas Aeruginosa Quorum Sensing Regulator Pqsr (Mvfr). Plos Pathog. V. 9 03508 2013.
ISSN: ISSN 1553-7366
PubMed: 23935486
DOI: 10.1371/JOURNAL.PPAT.1003508