Chlorine in PDB 5sdn: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380, PDB code: 5sdn was solved by C.T.Tham, J.A.Coker, T.Krojer, W.R.Foster, L.Koekemoer, A.Douangamath, R.Talon, D.Fearon, F.Von Delft, W.W.Yue, C.Bountra, G.A.Bezerra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.77 / 2.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.282, 117.015, 147.894, 90, 90, 90
R / Rfree (%)	21.9 / 24.8

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380 (pdb code 5sdn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380, PDB code: 5sdn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:32.9 occ:0.53 CL1 A:I8D801 0.0 32.9 0.5 C1 A:I8D801 1.7 32.3 0.5 C6 A:I8D801 2.7 32.2 0.5 C2 A:I8D801 2.7 32.0 0.5 O A:HOH970 3.7 33.2 1.0 O A:HOH1015 3.8 42.3 1.0 CD1 A:TRP343 3.9 36.2 1.0 C5 A:I8D801 4.0 32.4 0.5 C3 A:I8D801 4.0 31.9 0.5 CB A:TRP343 4.1 34.3 1.0 CG2 A:ILE339 4.3 37.4 1.0 CG A:TRP343 4.4 35.1 1.0 C4 A:I8D801 4.5 32.1 0.5 O A:ILE339 4.8 37.6 1.0 CA A:TRP343 4.9 34.6 1.0

Chlorine binding site 2 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:93.8 occ:1.00 CG A:ARG372 3.4 53.7 1.0 CB A:ARG372 3.4 50.7 1.0 CD A:ARG372 3.4 57.7 1.0 N A:ARG372 3.5 51.1 1.0 CB A:THR370 3.7 60.5 1.0 CD A:PRO371 3.7 54.1 1.0 CA A:THR370 3.7 58.4 1.0 N A:PRO371 3.8 55.4 1.0 C A:THR370 3.9 57.1 1.0 CA A:ARG372 4.1 49.9 1.0 CG2 A:THR370 4.1 61.7 1.0 NE A:ARG372 4.4 63.0 1.0 C A:PRO371 4.6 52.7 1.0 CG A:PRO371 4.6 55.3 1.0 O A:THR370 4.6 57.5 1.0 CA A:PRO371 4.8 54.0 1.0 OG1 A:THR370 4.9 61.6 1.0

Chlorine binding site 3 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:58.1 occ:1.00 O A:HOH998 3.3 52.5 1.0 N A:ASP687 3.3 35.3 1.0 C A:LEU685 3.7 36.6 1.0 N A:ALA686 3.7 35.6 1.0 CB A:ASP687 3.7 38.0 1.0 CA A:LEU685 3.8 37.9 1.0 CD2 A:TYR688 3.8 35.1 1.0 CB A:LEU685 3.9 39.8 1.0 CA A:ASP687 4.0 35.7 1.0 OD2 A:ASP687 4.0 48.2 1.0 CG A:ASP687 4.1 44.7 1.0 O A:LEU685 4.2 36.5 1.0 CE2 A:TYR688 4.3 35.2 1.0 C A:ALA686 4.3 35.9 1.0 CD2 A:LEU685 4.3 44.2 1.0 N A:TYR688 4.4 34.7 1.0 CA A:ALA686 4.4 35.8 1.0 NE A:ARG348 4.5 46.9 1.0 CD A:ARG348 4.5 44.2 1.0 C A:ASP687 4.5 35.5 1.0 CG A:LEU685 4.8 43.5 1.0 CB A:ALA686 4.9 35.5 1.0 CG A:TYR688 4.9 34.1 1.0

Chlorine binding site 4 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:56.0 occ:1.00 CL1 B:I8D801 0.0 56.0 1.0 C1 B:I8D801 1.7 56.1 1.0 C6 B:I8D801 2.7 56.3 1.0 C2 B:I8D801 2.7 56.3 1.0 CD1 B:TRP343 3.9 37.8 1.0 C5 B:I8D801 4.0 56.7 1.0 C3 B:I8D801 4.0 56.6 1.0 CB B:TRP343 4.0 36.2 1.0 CG B:TRP343 4.3 36.5 1.0 CG2 B:ILE339 4.4 35.4 1.0 C4 B:I8D801 4.5 57.0 1.0 O B:ILE339 4.8 33.8 1.0 CA B:TRP343 4.8 36.7 1.0

Chlorine binding site 5 out of 5 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z437584380 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:65.9 occ:1.00 N B:LYS254 3.6 48.7 1.0 CA B:PRO253 4.0 49.2 1.0 CD B:LYS254 4.1 63.2 1.0 CE2 B:PHE124 4.1 39.6 1.0 CB B:PRO253 4.2 49.8 1.0 CD2 B:PHE124 4.3 38.9 1.0 CZ B:PHE124 4.3 40.3 1.0 C B:PRO253 4.4 49.0 1.0 CB B:LYS254 4.4 52.3 1.0 CG B:LYS254 4.5 57.7 1.0 CD2 B:LEU251 4.6 49.5 1.0 CE1 B:PHE124 4.6 40.5 1.0 CG B:PHE124 4.6 38.8 1.0 CA B:LYS254 4.6 49.1 1.0 O B:ASP60 4.7 37.5 1.0 CD1 B:PHE124 4.8 39.5 1.0

C.T.Tham, J.A.Coker, T.Krojer, W.R.Foster, L.Koekemoer, A.Douangamath, R.Talon, D.Fearon, F.Von Delft, W.W.Yue, C.Bountra, G.A.Bezerra. Pandda Analysis Group Deposition To Be Published.