Chlorine in PDB 6s18: Ligand Binding Domain of the P. Putida Receptor PCAY_PP in Complex with Glycerol

The structure of Ligand Binding Domain of the P. Putida Receptor PCAY_PP in Complex with Glycerol, PDB code: 6s18 was solved by J.A.Gavira, M.A.Mantilla, M.Fernandez, T.Krell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.348, 67.768, 94.001, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.1

The binding sites of Chlorine atom in the Ligand Binding Domain of the P. Putida Receptor PCAY_PP in Complex with Glycerol (pdb code 6s18). 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 Ligand Binding Domain of the P. Putida Receptor PCAY_PP in Complex with Glycerol, PDB code: 6s18:

Chlorine binding site 1 out of 1 in the Ligand Binding Domain of the P. Putida Receptor PCAY_PP in Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ligand Binding Domain of the P. Putida Receptor PCAY_PP in Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:24.3 occ:1.00 O B:HOH718 3.1 32.4 1.0 NE A:ARG71 3.1 18.0 1.0 ND2 A:ASN75 3.3 21.7 1.0 NH2 A:ARG71 3.5 22.9 1.0 CG B:MET165 3.8 20.4 1.0 CZ A:ARG71 3.8 20.1 1.0 C1 B:GOL601 3.9 20.8 1.0 C3 B:GOL601 4.0 24.3 1.0 CB B:MET165 4.0 16.2 1.0 CG A:ARG71 4.0 15.9 1.0 CB A:ARG71 4.1 13.8 1.0 CD A:ARG71 4.1 18.1 1.0 O B:GLY162 4.3 20.1 1.0 CG A:ASN75 4.3 19.4 1.0 CA B:GLY162 4.4 16.5 1.0 OD1 A:ASN75 4.5 20.9 1.0 C2 B:GOL601 4.5 20.1 1.0 O A:ARG71 4.7 18.4 1.0 CD2 A:LEU97 4.7 22.2 1.0 CA A:ARG71 4.8 15.0 1.0 CD1 B:ILE70 4.8 18.6 1.0 C B:GLY162 4.8 19.6 1.0 O3 B:GOL601 4.9 31.8 1.0 N B:GLY166 5.0 19.5 1.0

J.A.Gavira, M.A.Matilla, M.Fernandez, T.Krell. The Structural Basis For Signal Promiscuity in A Bacterial Chemoreceptor. Febs J. 2020.
ISSN: ISSN 1742-464X
PubMed: 33021055
DOI: 10.1111/FEBS.15580