Chlorine in PDB 5sdq: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434887

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434887, PDB code: 5sdq 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)	76.52 / 1.92
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.233, 116.884, 147.873, 90, 90, 90
R / Rfree (%)	23.1 / 24.7

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434887 (pdb code 5sdq). 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 Z2856434887, PDB code: 5sdq:
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 Z2856434887


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 Z2856434887 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:76.3 occ:1.00 CG A:ARG372 3.5 56.5 1.0 CB A:ARG372 3.5 52.0 1.0 N A:ARG372 3.6 50.1 1.0 CD A:PRO371 3.6 51.7 1.0 CA A:THR370 3.7 55.0 1.0 CB A:THR370 3.7 56.8 1.0 N A:PRO371 3.8 52.5 1.0 C A:THR370 3.9 53.9 1.0 CD A:ARG372 3.9 61.4 1.0 CA A:ARG372 4.2 49.8 1.0 NE A:ARG372 4.2 66.5 1.0 CG2 A:THR370 4.3 57.4 1.0 CG A:PRO371 4.5 52.9 1.0 C A:PRO371 4.6 50.7 1.0 O A:THR370 4.7 54.2 1.0 CA A:PRO371 4.7 51.7 1.0 OG1 A:THR370 5.0 57.9 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434887


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 Z2856434887 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:45.2 occ:1.00 N A:ASP687 3.3 36.1 1.0 N A:ALA686 3.6 36.8 1.0 C A:LEU685 3.6 37.0 1.0 O A:HOH1002 3.7 61.1 1.0 CD2 A:TYR688 3.8 33.1 1.0 CA A:LEU685 3.8 37.0 1.0 CB A:ASP687 3.8 38.5 1.0 CB A:LEU685 3.9 38.0 1.0 CA A:ASP687 4.0 35.9 1.0 NE A:ARG348 4.1 41.9 1.0 CD A:ARG348 4.1 39.9 1.0 OD2 A:ASP687 4.1 48.1 1.0 O A:LEU685 4.2 37.0 1.0 CG A:ASP687 4.2 45.1 1.0 CE2 A:TYR688 4.2 33.9 1.0 C A:ALA686 4.3 36.8 1.0 N A:TYR688 4.3 33.4 1.0 CA A:ALA686 4.4 37.0 1.0 CD2 A:LEU685 4.4 40.9 1.0 C A:ASP687 4.5 34.8 1.0 CG A:LEU685 4.8 40.3 1.0 CB A:ALA686 4.8 37.5 1.0 CG A:TYR688 4.9 32.4 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434887


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 Z2856434887 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:67.9 occ:1.00 N B:LYS254 3.7 43.8 1.0 CA B:PRO253 4.0 45.4 1.0 CG B:LYS254 4.0 50.1 1.0 CE B:LYS254 4.0 60.7 1.0 CB B:PRO253 4.2 46.2 1.0 CE2 B:PHE124 4.3 37.4 1.0 CZ B:PHE124 4.4 37.5 1.0 C B:PRO253 4.4 44.6 1.0 CD2 B:LEU251 4.4 48.2 1.0 CD B:LYS254 4.5 54.9 1.0 CD2 B:PHE124 4.5 36.6 1.0 CB B:LYS254 4.7 46.1 1.0 CE1 B:PHE124 4.7 37.9 1.0 CA B:LYS254 4.8 43.9 1.0 CG B:PHE124 4.8 36.1 1.0 OH B:TYR196 4.9 41.7 1.0 NZ B:LYS194 4.9 56.2 1.0 CD1 B:PHE124 4.9 36.9 1.0 O B:ASP60 4.9 34.3 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.