Chlorine in PDB 5sdc: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434912

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434912, PDB code: 5sdc 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)	91.88 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.852, 116.964, 148.464, 90, 90, 90
R / Rfree (%)	24.1 / 26.8

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434912 (pdb code 5sdc). 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 Z2856434912, PDB code: 5sdc:
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 Z2856434912


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 Z2856434912 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:77.8 occ:1.00 CB A:ARG372 3.2 55.3 1.0 CG A:ARG372 3.4 58.7 1.0 N A:ARG372 3.5 54.6 1.0 CD A:ARG372 3.5 63.9 1.0 CD A:PRO371 3.7 57.4 1.0 CA A:ARG372 3.9 53.8 1.0 N A:PRO371 3.9 58.7 1.0 CA A:THR370 4.1 61.2 1.0 CB A:THR370 4.1 63.0 1.0 C A:THR370 4.2 60.3 1.0 C A:PRO371 4.5 55.8 1.0 CG A:PRO371 4.5 58.6 1.0 NE A:ARG372 4.5 68.8 1.0 CG2 A:THR370 4.7 63.9 1.0 CA A:PRO371 4.8 57.4 1.0 O A:THR370 4.9 60.6 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434912


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 Z2856434912 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:51.4 occ:1.00 N A:ASP687 3.2 34.2 1.0 O A:HOH998 3.5 63.8 1.0 CB A:ASP687 3.6 37.1 1.0 N A:ALA686 3.6 34.6 1.0 C A:LEU685 3.7 35.7 1.0 CD2 A:TYR688 3.7 31.9 1.0 CA A:LEU685 3.8 36.3 1.0 CA A:ASP687 3.8 34.8 1.0 CB A:LEU685 3.9 37.4 1.0 CG A:ASP687 4.1 42.9 1.0 OD2 A:ASP687 4.2 46.3 1.0 C A:ALA686 4.2 34.4 1.0 O A:LEU685 4.2 36.3 1.0 N A:TYR688 4.2 32.6 1.0 CE2 A:TYR688 4.3 33.1 1.0 CD A:ARG348 4.3 41.7 1.0 C A:ASP687 4.3 34.1 1.0 CD2 A:LEU685 4.3 39.6 1.0 NE A:ARG348 4.4 43.4 1.0 CA A:ALA686 4.4 34.3 1.0 CG A:LEU685 4.8 39.2 1.0 CG A:TYR688 4.8 31.4 1.0 CB A:ALA686 4.9 33.9 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2856434912


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 Z2856434912 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:75.9 occ:1.00 N B:LYS254 3.8 43.8 1.0 CA B:PRO253 4.0 45.5 1.0 CG B:LYS254 4.1 50.1 1.0 CE2 B:PHE124 4.2 34.9 1.0 CB B:PRO253 4.2 46.1 1.0 CZ B:PHE124 4.3 35.5 1.0 CE B:LYS254 4.4 60.7 1.0 CD2 B:LEU251 4.4 45.1 1.0 CD2 B:PHE124 4.5 34.3 1.0 C B:PRO253 4.5 44.8 1.0 CE1 B:PHE124 4.6 36.2 1.0 CB B:LYS254 4.7 46.3 1.0 CD B:LYS254 4.7 55.7 1.0 CG B:PHE124 4.8 34.3 1.0 CD1 B:PHE124 4.8 35.2 1.0 CA B:LYS254 4.8 43.7 1.0 NZ B:LYS194 4.9 52.3 1.0 OH B:TYR196 4.9 37.2 1.0 O B:ASP60 5.0 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.