Chlorine in PDB 5sdf: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434834

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434834, PDB code: 5sdf 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)	91.80 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.285, 117.136, 147.78, 90, 90, 90
R / Rfree (%)	22.2 / 24.8

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434834 (pdb code 5sdf). 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 Z2856434834, PDB code: 5sdf:
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 Z2856434834


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 Z2856434834 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:64.3 occ:1.00 N A:ARG372 3.4 43.6 1.0 CB A:ARG372 3.4 44.1 1.0 CD A:PRO371 3.5 45.9 1.0 CG A:ARG372 3.6 48.4 1.0 N A:PRO371 3.7 47.2 1.0 CB A:THR370 3.7 52.1 1.0 CA A:THR370 3.7 50.1 1.0 C A:THR370 3.8 48.9 1.0 CD A:ARG372 3.9 53.3 1.0 CA A:ARG372 3.9 42.8 1.0 CG2 A:THR370 4.1 53.3 1.0 CG A:PRO371 4.2 47.0 1.0 C A:PRO371 4.3 44.9 1.0 CA A:PRO371 4.5 45.8 1.0 O A:THR370 4.6 49.4 1.0 NE A:ARG372 4.9 59.0 1.0 OG1 A:THR370 5.0 53.1 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434834


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 Z2856434834 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:42.6 occ:1.00 N A:ASP687 3.3 29.8 1.0 O A:HOH1000 3.4 52.5 1.0 C A:LEU685 3.6 29.9 1.0 N A:ALA686 3.6 29.7 1.0 CA A:LEU685 3.6 30.3 1.0 CB A:LEU685 3.7 32.0 1.0 CB A:ASP687 3.8 32.8 1.0 CD2 A:TYR688 3.8 28.5 1.0 CA A:ASP687 4.0 29.9 1.0 O A:LEU685 4.1 29.6 1.0 OD2 A:ASP687 4.2 42.3 1.0 CD2 A:LEU685 4.2 35.9 1.0 CD A:ARG348 4.2 34.5 1.0 CG A:ASP687 4.3 38.9 1.0 NE A:ARG348 4.3 36.8 1.0 C A:ALA686 4.3 29.5 1.0 CE2 A:TYR688 4.3 29.1 1.0 N A:TYR688 4.4 27.9 1.0 CA A:ALA686 4.4 29.7 1.0 C A:ASP687 4.5 29.1 1.0 CG A:LEU685 4.6 35.3 1.0 CG A:TYR688 4.9 27.7 1.0 CB A:ALA686 5.0 29.6 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434834


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 Z2856434834 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:61.3 occ:1.00 CG B:LYS254 3.8 47.8 1.0 N B:LYS254 3.8 38.9 1.0 CE2 B:PHE124 4.0 31.0 1.0 CA B:PRO253 4.0 40.1 1.0 CE B:LYS254 4.1 59.1 1.0 CB B:PRO253 4.1 41.0 1.0 CZ B:PHE124 4.2 31.3 1.0 CD2 B:PHE124 4.2 30.4 1.0 C B:PRO253 4.5 39.7 1.0 CD2 B:LEU251 4.5 39.9 1.0 CE1 B:PHE124 4.6 31.8 1.0 CD B:LYS254 4.6 53.7 1.0 CG B:PHE124 4.6 30.1 1.0 O B:ASP60 4.6 31.2 1.0 CB B:LYS254 4.7 42.5 1.0 CD1 B:PHE124 4.7 30.9 1.0 CA B:LYS254 4.8 39.2 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.