Chlorine in PDB 5sdh: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434854

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434854, PDB code: 5sdh 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)	73.70 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.487, 116.712, 147.406, 90, 90, 90
R / Rfree (%)	21.3 / 24.6

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434854 (pdb code 5sdh). 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 Z2856434854, PDB code: 5sdh:
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 Z2856434854


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 Z2856434854 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:85.0 occ:1.00 CG A:ARG372 3.5 54.5 1.0 CB A:ARG372 3.5 51.3 1.0 N A:ARG372 3.6 50.2 1.0 CB A:THR370 3.6 58.4 1.0 CA A:THR370 3.6 56.1 1.0 CD A:ARG372 3.7 59.1 1.0 CD A:PRO371 3.8 52.0 1.0 N A:PRO371 3.8 53.1 1.0 C A:THR370 3.8 54.5 1.0 CG2 A:THR370 4.0 58.7 1.0 CA A:ARG372 4.2 50.1 1.0 NE A:ARG372 4.2 64.7 1.0 O A:THR370 4.5 54.5 1.0 CG A:PRO371 4.6 53.2 1.0 C A:PRO371 4.6 51.0 1.0 CA A:PRO371 4.8 52.0 1.0 OG1 A:THR370 4.9 60.0 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434854


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 Z2856434854 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:65.7 occ:1.00 CA A:LEU685 3.7 42.1 1.0 N A:ASP687 3.8 39.5 1.0 CB A:LEU685 3.8 43.2 1.0 C A:LEU685 3.9 41.6 1.0 N A:ALA686 3.9 40.4 1.0 O A:HOH972 3.9 55.9 1.0 NE A:ARG348 3.9 49.3 1.0 CD2 A:TYR688 4.0 40.0 1.0 CD A:ARG348 4.0 46.6 1.0 CB A:ASP687 4.2 42.4 1.0 CD2 A:LEU685 4.2 47.1 1.0 CA A:ASP687 4.4 39.8 1.0 OD2 A:ASP687 4.5 51.4 1.0 CE2 A:TYR688 4.5 41.1 1.0 O A:LEU685 4.5 42.5 1.0 CG A:ASP687 4.6 49.1 1.0 CG A:LEU685 4.6 46.0 1.0 N A:TYR688 4.7 38.3 1.0 C A:ALA686 4.7 39.2 1.0 CA A:ALA686 4.7 39.7 1.0 C A:ASP687 4.9 39.2 1.0 CZ A:ARG348 5.0 50.7 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434854


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 Z2856434854 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:64.2 occ:1.00 N B:LYS254 4.0 49.7 1.0 CG B:LYS254 4.2 55.9 1.0 CE2 B:PHE124 4.2 39.4 1.0 CA B:PRO253 4.3 50.0 1.0 CZ B:PHE124 4.3 39.5 1.0 CD2 B:PHE124 4.4 38.6 1.0 CB B:PRO253 4.4 50.6 1.0 CE B:LYS254 4.4 64.2 1.0 CE1 B:PHE124 4.6 39.8 1.0 CG B:PHE124 4.6 37.9 1.0 CD2 B:LEU251 4.6 49.2 1.0 CD1 B:PHE124 4.7 38.9 1.0 C B:PRO253 4.7 50.2 1.0 CB B:LYS254 4.7 51.6 1.0 NZ B:LYS194 4.8 57.7 1.0 O B:ASP60 4.8 40.1 1.0 OH B:TYR196 4.8 47.9 1.0 CD B:LYS254 4.8 60.2 1.0 CD B:LYS194 4.9 52.5 1.0 CA B:LYS254 5.0 49.8 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.