Chlorine in PDB 5sdo: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z19735067

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z19735067, PDB code: 5sdo 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)	83.86 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.802, 117.06, 147.933, 90, 90, 90
R / Rfree (%)	22.1 / 24.2

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z19735067 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z19735067 (pdb code 5sdo). 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 Z19735067, PDB code: 5sdo:
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 Z19735067


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 Z19735067 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:71.1 occ:1.00 CB A:ARG372 3.4 48.7 1.0 CG A:ARG372 3.5 52.0 1.0 CD A:ARG372 3.5 56.5 1.0 N A:ARG372 3.5 47.9 1.0 CD A:PRO371 3.7 50.1 1.0 N A:PRO371 3.9 51.5 1.0 CA A:THR370 4.0 55.2 1.0 CB A:THR370 4.0 57.5 1.0 CA A:ARG372 4.0 47.2 1.0 C A:THR370 4.1 53.4 1.0 NE A:ARG372 4.5 61.7 1.0 CG2 A:THR370 4.5 58.2 1.0 CG A:PRO371 4.5 51.2 1.0 C A:PRO371 4.6 49.0 1.0 CA A:PRO371 4.8 50.2 1.0 O A:THR370 4.8 53.6 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z19735067


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 Z19735067 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:48.1 occ:1.00 N A:ASP687 3.3 32.3 1.0 O A:HOH1008 3.4 55.4 1.0 C A:LEU685 3.7 32.0 1.0 N A:ALA686 3.7 32.0 1.0 CA A:LEU685 3.8 32.2 1.0 CD2 A:TYR688 3.8 29.0 1.0 CB A:ASP687 3.8 35.3 1.0 CB A:LEU685 3.9 33.2 1.0 CA A:ASP687 4.0 32.7 1.0 CD A:ARG348 4.2 37.5 1.0 OD2 A:ASP687 4.2 44.4 1.0 O A:LEU685 4.2 32.2 1.0 NE A:ARG348 4.2 38.3 1.0 CE2 A:TYR688 4.3 29.8 1.0 CG A:ASP687 4.3 41.5 1.0 CD2 A:LEU685 4.3 36.0 1.0 C A:ALA686 4.3 32.8 1.0 N A:TYR688 4.4 31.5 1.0 CA A:ALA686 4.5 32.1 1.0 C A:ASP687 4.5 32.5 1.0 CG A:LEU685 4.7 35.7 1.0 CB A:ALA686 4.9 31.8 1.0 CG A:TYR688 4.9 28.7 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z19735067


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 Z19735067 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:72.5 occ:1.00 CG B:LYS254 3.6 52.3 1.0 N B:LYS254 3.6 43.7 1.0 CA B:PRO253 3.9 44.9 1.0 CB B:PRO253 3.9 45.6 1.0 CE2 B:PHE124 4.1 34.3 1.0 CZ B:PHE124 4.3 34.8 1.0 C B:PRO253 4.3 44.4 1.0 CD2 B:PHE124 4.3 33.6 1.0 CE B:LYS254 4.4 61.7 1.0 CD2 B:LEU251 4.5 43.8 1.0 O B:ASP60 4.6 35.9 1.0 CD B:LYS254 4.6 57.2 1.0 CB B:LYS254 4.6 47.6 1.0 CE1 B:PHE124 4.7 35.1 1.0 CA B:LYS254 4.7 44.1 1.0 CG B:PHE124 4.7 33.4 1.0 CD1 B:PHE124 4.9 34.0 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.