Chlorine in PDB 4rt1: Structure of the ALG44 Pilz Domain (R95A Mutant) From Pseudomonas Aeruginosa PAO1 in Complex with C-Di-Gmp

The structure of Structure of the ALG44 Pilz Domain (R95A Mutant) From Pseudomonas Aeruginosa PAO1 in Complex with C-Di-Gmp, PDB code: 4rt1 was solved by G.B.Whitfield, J.C.Whitney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.66 / 1.70
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.075, 106.075, 122.314, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 20.1

The structure of Structure of the ALG44 Pilz Domain (R95A Mutant) From Pseudomonas Aeruginosa PAO1 in Complex with C-Di-Gmp also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Structure of the ALG44 Pilz Domain (R95A Mutant) From Pseudomonas Aeruginosa PAO1 in Complex with C-Di-Gmp (pdb code 4rt1). 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 Structure of the ALG44 Pilz Domain (R95A Mutant) From Pseudomonas Aeruginosa PAO1 in Complex with C-Di-Gmp, PDB code: 4rt1:

Chlorine binding site 1 out of 1 in the Structure of the ALG44 Pilz Domain (R95A Mutant) From Pseudomonas Aeruginosa PAO1 in Complex with C-Di-Gmp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the ALG44 Pilz Domain (R95A Mutant) From Pseudomonas Aeruginosa PAO1 in Complex with C-Di-Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:19.6 occ:1.00 O A:HOH430 3.0 34.7 1.0 NH1 A:ARG17 3.1 15.6 1.0 O A:HOH359 3.1 39.9 1.0 N A:ARG21 3.4 14.7 1.0 CA A:ALA20 3.6 13.3 1.0 CD A:ARG17 3.9 13.4 1.0 CB A:ALA20 4.0 18.2 1.0 C A:ALA20 4.0 14.8 1.0 O A:ARG21 4.2 19.0 1.0 CZ A:ARG17 4.2 14.6 1.0 CA A:ARG21 4.4 13.1 1.0 CB A:ARG21 4.5 12.5 1.0 NE A:ARG17 4.5 14.8 1.0 CG A:ARG21 4.7 11.8 1.0 O A:PHE19 4.8 15.2 1.0 N A:ALA20 4.8 15.3 1.0 C A:ARG21 4.8 16.0 1.0

J.C.Whitney, G.B.Whitfield, L.S.Marmont, P.Yip, A.M.Neculai, Y.D.Lobsanov, H.Robinson, D.E.Ohman, P.L.Howell. Dimeric C-Di-Gmp Is Required For Post-Translational Regulation of Alginate Production in Pseudomonas Aeruginosa J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X