Chlorine in PDB 6w3v: Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Phenylalanine

The structure of Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Phenylalanine, PDB code: 6w3v 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)	45.85 / 1.47
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.396, 137.359, 48.759, 90.00, 93.96, 90.00
R / Rfree (%)	13.6 / 14.8

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

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Phenylalanine (pdb code 6w3v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Phenylalanine, PDB code: 6w3v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Phenylalanine


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 L-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:23.7 occ:1.00 O A:HOH508 2.7 29.4 1.0 O A:HOH608 2.7 32.6 1.0 OH A:TYR179 2.8 16.8 1.0 NE A:ARG69 3.1 18.8 1.0 CB A:ARG69 3.6 13.3 1.0 CD2 A:PHE68 3.7 14.8 1.0 NH2 A:ARG69 3.7 27.5 1.0 CZ A:TYR179 3.7 13.3 1.0 CG A:ARG69 3.8 14.6 1.0 CE2 A:PHE68 3.8 15.2 1.0 CA A:ARG69 3.9 11.7 1.0 CZ A:ARG69 3.9 20.2 1.0 CE2 A:TYR179 4.0 13.7 1.0 CG1 A:VAL163 4.0 17.4 1.0 CD A:ARG69 4.1 18.5 1.0 CG2 A:ILE177 4.2 15.3 1.0 N A:ARG69 4.4 12.0 1.0 CD1 A:ILE177 4.5 17.1 1.0 OH A:TYR272 4.8 29.8 1.0 CE1 A:TYR179 4.9 13.8 1.0 O A:HOH472 4.9 27.6 1.0 CG A:PHE68 5.0 13.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Phenylalanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:33.9 occ:1.00 O B:HOH644 2.5 27.8 1.0 O B:HOH492 2.7 48.7 1.0 O B:HOH663 2.7 38.0 1.0 OH B:TYR179 2.9 19.5 1.0 CB B:ARG69 3.7 16.6 1.0 CZ B:TYR179 3.8 16.1 1.0 CD2 B:PHE68 3.9 18.4 1.0 CG B:ARG69 3.9 21.3 1.0 CA B:ARG69 3.9 15.1 1.0 CE2 B:TYR179 4.0 16.3 1.0 CG1 B:VAL163 4.0 19.4 1.0 CD B:ARG69 4.1 32.2 1.0 CE2 B:PHE68 4.1 19.3 1.0 CG2 B:ILE177 4.3 22.3 1.0 N B:ARG69 4.4 14.0 1.0 O B:HOH472 4.7 35.3 1.0 CD1 B:ILE177 4.7 28.6 1.0 NH1 B:ARG69 4.9 35.5 1.0 CE2 B:TYR272 4.9 38.9 1.0 CE1 B:TYR179 5.0 16.7 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