Chlorine in PDB 1ikp: Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant

The structure of Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant, PDB code: 1ikp 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)	21.82 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.910, 99.070, 58.630, 90.00, 97.34, 90.00
R / Rfree (%)	20.5 / 22.8

The structure of Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant (pdb code 1ikp). 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, P201Q, W281A Mutant, PDB code: 1ikp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant


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, P201Q, W281A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:17.9 occ:1.00 NH1 A:ARG154 3.0 24.7 1.0 O A:HOH862 3.3 20.4 1.0 O A:HOH863 3.3 22.7 1.0 CD A:ARG154 3.6 22.9 1.0 CG2 A:VAL23 3.8 25.6 1.0 CZ A:ARG154 4.0 25.2 1.0 CG A:ARG154 4.1 20.8 1.0 CB A:VAL23 4.2 21.9 1.0 NE A:ARG154 4.2 25.1 1.0 CB A:ARG154 4.4 20.0 1.0 CB A:PHE152 4.6 13.9 1.0 O A:HOH749 4.8 23.9 1.0 CG1 A:VAL23 5.0 25.9 1.0

Chlorine binding site 2 out of 2 in the Pseudomonas Aeruginosa Exotoxin A, P201Q, W281A Mutant


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, P201Q, W281A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:27.1 occ:1.00 N A:LYS590 3.3 16.3 1.0 N A:ASP589 3.5 18.6 1.0 CB A:LYS590 3.5 17.0 1.0 CG A:LYS590 3.6 18.8 1.0 CB A:PRO588 3.7 17.9 1.0 CD A:LYS590 3.9 21.9 1.0 C A:PRO588 3.9 18.3 1.0 CA A:PRO588 4.0 17.0 1.0 CA A:LYS590 4.0 16.1 1.0 O A:HOH857 4.0 26.1 1.0 C A:ASP589 4.2 17.1 1.0 CA A:ASP589 4.2 18.7 1.0 CG1 A:VAL419 4.3 21.4 1.0 CB A:ASP589 4.4 21.5 1.0 CG2 A:VAL419 4.6 20.2 1.0 CE A:LYS590 4.7 26.2 1.0 O A:PRO588 4.8 16.9 1.0 N A:GLU591 4.9 14.2 1.0 CB A:VAL419 4.9 18.7 1.0 C A:LYS590 5.0 14.9 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