Chlorine in PDB 5sdj: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z32327641

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z32327641, PDB code: 5sdj 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)	91.75 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.73, 117.072, 147.724, 90, 90, 90
R / Rfree (%)	21.8 / 24.2

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z32327641 (pdb code 5sdj). 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 Z32327641, PDB code: 5sdj:
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 Z32327641


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 Z32327641 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:74.3 occ:1.00 CB A:ARG372 3.4 49.7 1.0 N A:ARG372 3.4 48.5 1.0 CG A:ARG372 3.4 53.9 1.0 CB A:THR370 3.5 58.1 1.0 CD A:PRO371 3.5 51.2 1.0 CD A:ARG372 3.5 58.4 1.0 CA A:THR370 3.6 56.1 1.0 N A:PRO371 3.7 52.5 1.0 C A:THR370 3.8 54.4 1.0 CA A:ARG372 4.0 48.0 1.0 CG2 A:THR370 4.1 59.0 1.0 CG A:PRO371 4.4 52.3 1.0 C A:PRO371 4.4 49.7 1.0 NE A:ARG372 4.5 63.2 1.0 OG1 A:THR370 4.6 59.2 1.0 CA A:PRO371 4.6 51.2 1.0 O A:THR370 4.6 54.8 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z32327641


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 Z32327641 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:51.0 occ:1.00 N A:ASP687 3.2 35.1 1.0 O A:HOH968 3.5 53.5 1.0 N A:ALA686 3.6 35.3 1.0 C A:LEU685 3.6 35.4 1.0 CB A:ASP687 3.7 38.1 1.0 CA A:LEU685 3.7 35.4 1.0 CD2 A:TYR688 3.8 33.8 1.0 CB A:LEU685 3.9 36.5 1.0 CA A:ASP687 3.9 35.2 1.0 OD2 A:ASP687 4.1 47.2 1.0 CG A:ASP687 4.1 44.6 1.0 O A:LEU685 4.2 35.6 1.0 C A:ALA686 4.2 35.8 1.0 CD A:ARG348 4.3 42.0 1.0 NE A:ARG348 4.3 45.0 1.0 CD2 A:LEU685 4.3 38.9 1.0 CE2 A:TYR688 4.3 34.6 1.0 CA A:ALA686 4.3 35.7 1.0 N A:TYR688 4.4 33.5 1.0 C A:ASP687 4.5 34.6 1.0 CG A:LEU685 4.8 38.7 1.0 CB A:ALA686 4.8 35.7 1.0 CG A:TYR688 4.9 33.2 1.0 OD1 A:ASP687 5.0 45.6 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z32327641


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 Z32327641 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:69.3 occ:1.00 N B:LYS254 3.8 45.7 1.0 CG B:LYS254 4.0 54.1 1.0 CE2 B:PHE124 4.1 36.9 1.0 CA B:PRO253 4.1 46.6 1.0 CB B:PRO253 4.2 47.3 1.0 CZ B:PHE124 4.2 37.0 1.0 CD2 B:PHE124 4.2 36.3 1.0 CE B:LYS254 4.3 66.0 1.0 C B:PRO253 4.5 46.4 1.0 CE1 B:PHE124 4.6 37.3 1.0 O B:ASP60 4.6 34.8 1.0 CG B:PHE124 4.6 35.7 1.0 CD2 B:LEU251 4.6 47.2 1.0 CB B:LYS254 4.6 48.9 1.0 CD B:LYS254 4.7 60.3 1.0 CD1 B:PHE124 4.7 36.6 1.0 CA B:LYS254 4.8 45.7 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.