Chlorine in PDB 5sdm: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1328078283

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1328078283, PDB code: 5sdm 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)	67.94 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.009, 117.089, 147.927, 90, 90, 90
R / Rfree (%)	22.8 / 25.4

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1328078283 (pdb code 5sdm). 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 Z1328078283, PDB code: 5sdm:
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 Z1328078283


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 Z1328078283 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:75.8 occ:1.00 CB A:ARG372 3.4 45.6 1.0 CG A:ARG372 3.4 48.3 1.0 N A:ARG372 3.5 45.4 1.0 CD A:ARG372 3.6 52.2 1.0 CD A:PRO371 3.8 48.4 1.0 CB A:THR370 3.9 54.0 1.0 CA A:THR370 3.9 52.0 1.0 N A:PRO371 3.9 49.5 1.0 C A:THR370 4.0 51.0 1.0 CA A:ARG372 4.1 44.4 1.0 CG2 A:THR370 4.5 55.0 1.0 CG A:PRO371 4.5 49.6 1.0 NE A:ARG372 4.6 56.6 1.0 C A:PRO371 4.6 46.8 1.0 O A:THR370 4.8 51.1 1.0 CA A:PRO371 4.8 48.2 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1328078283


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 Z1328078283 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:46.9 occ:1.00 O A:HOH1004 3.1 54.1 1.0 N A:ASP687 3.2 28.4 1.0 N A:ALA686 3.6 28.5 1.0 C A:LEU685 3.6 28.9 1.0 CB A:ASP687 3.6 31.1 1.0 CA A:LEU685 3.7 28.9 1.0 CD2 A:TYR688 3.7 28.4 1.0 CB A:LEU685 3.8 29.9 1.0 CA A:ASP687 3.9 29.2 1.0 OD2 A:ASP687 4.1 42.0 1.0 CG A:ASP687 4.1 37.6 1.0 O A:LEU685 4.1 29.0 1.0 CE2 A:TYR688 4.2 29.1 1.0 C A:ALA686 4.2 28.5 1.0 CD A:ARG348 4.3 34.9 1.0 NE A:ARG348 4.3 36.2 1.0 N A:TYR688 4.3 28.1 1.0 CD2 A:LEU685 4.3 32.0 1.0 CA A:ALA686 4.3 28.2 1.0 C A:ASP687 4.4 29.5 1.0 CG A:LEU685 4.7 31.9 1.0 CB A:ALA686 4.8 28.1 1.0 CG A:TYR688 4.9 27.9 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1328078283


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 Z1328078283 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:65.6 occ:1.00 N B:LYS254 3.5 38.8 1.0 CA B:PRO253 3.8 40.2 1.0 CB B:PRO253 3.9 41.0 1.0 CE2 B:PHE124 4.0 31.1 1.0 CE B:LYS254 4.1 56.8 1.0 CG B:LYS254 4.1 46.4 1.0 C B:PRO253 4.2 39.8 1.0 CZ B:PHE124 4.2 31.4 1.0 CD2 B:PHE124 4.2 30.7 1.0 CB B:LYS254 4.5 42.0 1.0 CD2 B:LEU251 4.5 41.6 1.0 CA B:LYS254 4.6 39.2 1.0 CE1 B:PHE124 4.7 31.6 1.0 CG B:PHE124 4.7 30.3 1.0 O B:ASP60 4.7 30.7 1.0 CD B:LYS254 4.7 51.3 1.0 CD1 B:PHE124 4.9 30.9 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.