Chlorine in PDB 1ikq: Pseudomonas Aeruginosa Exotoxin A, Wild Type

The structure of Pseudomonas Aeruginosa Exotoxin A, Wild Type, PDB code: 1ikq was solved by D.B.Mckay, J.E.Wedekind, C.B.Trame, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.79 / 1.62
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.520, 98.120, 58.260, 90.00, 97.30, 90.00
R / Rfree (%)	20.9 / 23.5

The structure of Pseudomonas Aeruginosa Exotoxin A, Wild Type also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Exotoxin A, Wild Type (pdb code 1ikq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pseudomonas Aeruginosa Exotoxin A, Wild Type, PDB code: 1ikq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pseudomonas Aeruginosa Exotoxin A, Wild Type


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Exotoxin A, Wild Type within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:19.7 occ:1.00 NH1 A:ARG154 3.1 25.1 1.0 O A:HOH893 3.2 23.4 1.0 O A:HOH892 3.3 24.1 1.0 CD A:ARG154 3.5 22.5 1.0 CG2 A:VAL23 3.6 26.8 1.0 CG A:ARG154 4.0 20.9 1.0 CB A:VAL23 4.0 24.6 1.0 CZ A:ARG154 4.1 24.1 1.0 CB A:ARG154 4.3 22.6 1.0 NE A:ARG154 4.3 23.8 1.0 CB A:PHE152 4.6 17.6 1.0 O A:HOH757 4.7 20.6 1.0 CG1 A:VAL23 4.8 27.5 1.0

Chlorine binding site 2 out of 2 in the Pseudomonas Aeruginosa Exotoxin A, Wild Type


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pseudomonas Aeruginosa Exotoxin A, Wild Type within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:36.1 occ:1.00 N A:LYS590 3.3 21.4 1.0 O A:HOH884 3.4 31.7 1.0 N A:ASP589 3.5 23.6 1.0 CB A:LYS590 3.5 30.1 1.0 CG A:LYS590 3.6 34.8 1.0 O A:HOH883 3.6 34.8 1.0 CB A:PRO588 3.7 24.3 1.0 CD A:LYS590 3.8 37.9 1.0 C A:PRO588 3.9 23.9 1.0 CA A:PRO588 3.9 22.3 1.0 CA A:LYS590 4.0 22.2 1.0 C A:ASP589 4.2 23.3 1.0 CA A:ASP589 4.2 23.9 1.0 CB A:ASP589 4.4 29.0 1.0 CE A:LYS590 4.7 41.2 1.0 CG1 A:VAL419 4.7 25.3 1.0 O A:PRO588 4.8 23.2 1.0 CG2 A:VAL419 4.8 27.5 1.0 N A:GLU591 4.9 19.8 1.0 CB A:VAL419 4.9 23.7 1.0 C A:LYS590 5.0 19.1 1.0

J.E.Wedekind, C.B.Trame, M.Dorywalska, P.Koehl, T.M.Raschke, M.Mckee, D.Fitzgerald, R.J.Collier, D.B.Mckay. Refined Crystallographic Structure of Pseudomonas Aeruginosa Exotoxin A and Its Implications For the Molecular Mechanism of Toxicity J.Mol.Biol. V. 314 823 2001.
ISSN: ISSN 0022-2836
PubMed: 11734000
DOI: 10.1006/JMBI.2001.5195