Chlorine in PDB 5sdr: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1273312153

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1273312153, PDB code: 5sdr 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)	91.76 / 2.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.326, 116.924, 148.068, 90, 90, 90
R / Rfree (%)	21 / 23.8

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1273312153 (pdb code 5sdr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1273312153, PDB code: 5sdr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1273312153


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 Z1273312153 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:114.4 occ:1.00 CD A:ARG372 3.1 56.0 1.0 CG A:ARG372 3.1 52.0 1.0 CB A:THR370 3.2 56.7 1.0 CA A:THR370 3.4 54.6 1.0 CB A:ARG372 3.5 49.2 1.0 C A:THR370 3.7 53.5 1.0 N A:ARG372 3.8 48.6 1.0 NE A:ARG372 3.8 60.3 1.0 CG2 A:THR370 3.8 57.6 1.0 N A:PRO371 4.0 51.9 1.0 CD A:PRO371 4.1 50.7 1.0 CA A:ARG372 4.3 47.8 1.0 OG1 A:THR370 4.3 57.8 1.0 O A:THR370 4.4 53.8 1.0 C A:PRO371 4.8 49.8 1.0 N A:THR370 4.9 54.8 1.0 CA A:PRO371 5.0 50.9 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1273312153


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 Z1273312153 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:53.6 occ:1.00 N A:ASP687 3.1 31.9 1.0 O A:HOH1012 3.1 47.8 1.0 N A:ALA686 3.6 32.1 1.0 CB A:ASP687 3.6 35.7 1.0 C A:LEU685 3.6 32.1 1.0 CA A:ASP687 3.8 32.3 1.0 CD2 A:TYR688 3.8 28.7 1.0 CA A:LEU685 3.8 32.9 1.0 OD2 A:ASP687 3.9 46.5 1.0 CG A:ASP687 4.0 43.3 1.0 CB A:LEU685 4.0 33.9 1.0 C A:ALA686 4.1 32.6 1.0 O A:LEU685 4.1 31.7 1.0 CA A:ALA686 4.2 32.2 1.0 N A:TYR688 4.2 29.4 1.0 CE2 A:TYR688 4.3 29.2 1.0 C A:ASP687 4.3 31.1 1.0 CD2 A:LEU685 4.5 37.2 1.0 NE A:ARG348 4.5 39.5 1.0 CD A:ARG348 4.6 37.5 1.0 CB A:ALA686 4.6 31.6 1.0 OD1 A:ASP687 4.8 44.4 1.0 CG A:TYR688 4.9 28.3 1.0 CG A:LEU685 4.9 36.9 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1273312153


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 Z1273312153 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:68.2 occ:1.00 N B:LYS254 3.7 43.0 1.0 CA B:PRO253 4.0 44.4 1.0 CE2 B:PHE124 4.0 37.6 1.0 CE B:LYS254 4.0 61.2 1.0 CG B:LYS254 4.1 51.5 1.0 CB B:PRO253 4.2 45.1 1.0 CZ B:PHE124 4.2 37.8 1.0 CD2 B:PHE124 4.2 36.8 1.0 C B:PRO253 4.4 43.8 1.0 O B:ASP60 4.6 32.0 1.0 CE1 B:PHE124 4.6 38.2 1.0 CB B:LYS254 4.6 46.3 1.0 CG B:PHE124 4.6 36.2 1.0 CD B:LYS254 4.7 56.6 1.0 CD2 B:LEU251 4.7 47.4 1.0 CA B:LYS254 4.8 43.2 1.0 CD1 B:PHE124 4.8 37.3 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.