Chlorine in PDB 6w3o: Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with 4-Methylisoleucine

The structure of Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with 4-Methylisoleucine, PDB code: 6w3o was solved by M.F.Khan, M.A.Machuca, M.M.Rahman, A.Roujeinikova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.45 / 1.42
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.420, 137.720, 48.790, 90.00, 94.04, 90.00
R / Rfree (%)	11.5 / 16.2

The structure of Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with 4-Methylisoleucine also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with 4-Methylisoleucine (pdb code 6w3o). 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 Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with 4-Methylisoleucine, PDB code: 6w3o:

Chlorine binding site 1 out of 1 in the Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with 4-Methylisoleucine


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 Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with 4-Methylisoleucine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:33.9 occ:1.00 O B:ALA114 2.7 12.3 1.0 O B:HOH723 2.7 19.6 1.0 NH1 B:ARG109 2.8 12.7 1.0 CG B:ARG109 3.4 9.9 1.0 OD1 B:ASN113 3.4 18.2 1.0 CD B:ARG109 3.5 10.4 1.0 O B:HOH427 3.8 32.8 1.0 CZ B:ARG109 3.8 10.8 1.0 C B:ALA114 3.9 10.7 1.0 NE B:ARG109 4.1 11.1 1.0 C B:ASN113 4.1 11.7 1.0 CA B:ASN113 4.2 11.9 1.0 N B:ALA114 4.2 10.6 1.0 O B:ARG109 4.3 9.9 1.0 O4 B:SO4302 4.4 30.6 1.0 CG B:ASN113 4.5 16.5 1.0 O B:ASN113 4.6 13.2 1.0 C B:ARG109 4.7 7.5 1.0 CA B:ALA114 4.7 10.3 1.0 O B:LEU115 4.7 10.6 1.0 CB B:ARG109 4.8 8.8 1.0 CD2 B:HIS110 4.8 12.3 1.0 N B:LEU115 4.8 10.3 1.0 CA B:LEU115 4.9 10.5 1.0 N B:LYS131 4.9 22.0 1.0 CB B:ASN113 5.0 13.7 1.0

M.F.Khan, M.A.Machuca, M.M.Rahman, C.Koc, R.S.Norton, B.J.Smith, A.Roujeinikova. Structure-Activity Relationship Study Reveals the Molecular Basis For Specific Sensing of Hydrophobic Amino Acids By the Campylobacter Jejuni Chemoreceptor TLP3 Biomolecules 2020.
ISSN: ESSN 2218-273X
DOI: 10.3390/BIOM10050744