Chlorine in PDB 6w3y: Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Alanine

The structure of Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Alanine, PDB code: 6w3y 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)	46.12 / 1.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.565, 137.618, 49.118, 90.00, 94.72, 90.00
R / Rfree (%)	12.4 / 15.6

The binding sites of Chlorine atom in the Crystal Structure of Ligand-Binding Domain of Campylobacter Jejuni Chemoreceptor TLP3 in Complex with L-Alanine (pdb code 6w3y). 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-Alanine, PDB code: 6w3y:
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-Alanine


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-Alanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:35.7 occ:1.00 O A:HOH557 2.5 27.6 1.0 O A:HOH601 2.7 27.7 1.0 OH A:TYR179 2.8 15.2 1.0 NE A:ARG69 3.1 16.8 1.0 CB A:ARG69 3.6 11.4 1.0 NH2 A:ARG69 3.7 21.3 1.0 CD2 A:PHE68 3.7 12.3 1.0 CZ A:TYR179 3.7 12.1 1.0 CG A:ARG69 3.8 12.9 1.0 CZ A:ARG69 3.8 17.1 1.0 CE2 A:PHE68 3.9 13.9 1.0 CA A:ARG69 3.9 10.9 1.0 CE2 A:TYR179 4.0 12.8 1.0 CG1 A:VAL163 4.1 15.2 1.0 CD A:ARG69 4.1 17.5 1.0 CG2 A:ILE177 4.2 12.2 1.0 N A:ARG69 4.4 10.5 1.0 CD1 A:ILE177 4.5 16.0 1.0 O A:HOH498 4.7 23.1 1.0 OH A:TYR272 4.8 32.0 1.0 CE1 A:TYR179 4.9 12.2 1.0 CD2 A:LEU202 5.0 15.8 1.0 CG A:PHE68 5.0 11.5 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-Alanine


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-Alanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:19.7 occ:1.00 OG B:SER129 3.0 10.8 1.0 NH2 B:ARG109 3.3 13.3 1.0 CA B:SER129 3.5 10.1 1.0 N B:GLN130 3.6 11.9 1.0 CD B:LYS106 3.6 16.5 0.0 CB B:SER129 3.7 10.5 1.0 CD B:LYS106 3.8 18.6 1.0 CG B:PRO138 3.8 14.1 1.0 CE B:LYS106 3.9 20.1 1.0 O B:GLN130 4.0 13.6 1.0 CD B:PRO138 4.0 14.6 1.0 CG B:LYS106 4.0 14.9 0.0 C B:SER129 4.0 11.0 1.0 CG B:LYS106 4.0 16.7 1.0 N B:PRO138 4.2 14.9 1.0 CZ B:ARG109 4.2 11.1 1.0 CE B:LYS106 4.3 18.0 0.0 NE B:ARG109 4.3 11.4 1.0 CA B:PRO138 4.5 14.2 1.0 CB B:LYS106 4.5 13.4 1.0 O B:LEU128 4.5 11.6 1.0 C B:MET137 4.6 16.4 1.0 CB B:LYS106 4.6 13.6 0.0 NZ B:LYS106 4.6 21.4 1.0 CB B:PRO138 4.7 13.8 1.0 C B:GLN130 4.7 13.7 1.0 CA B:GLN130 4.7 12.9 1.0 N B:SER129 4.8 10.7 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