Chlorine in PDB 5sde: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1619978933

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1619978933, PDB code: 5sde 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)	36.63 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.472, 117.837, 147.651, 90, 90, 90
R / Rfree (%)	23.9 / 26.5

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1619978933 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1619978933 (pdb code 5sde). 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 Z1619978933, PDB code: 5sde:
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 Z1619978933


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 Z1619978933 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:60.8 occ:1.00 N A:ARG372 3.3 38.8 1.0 CD A:PRO371 3.4 40.4 1.0 CB A:ARG372 3.4 39.7 1.0 CG A:ARG372 3.4 43.7 1.0 N A:PRO371 3.5 41.6 1.0 CA A:THR370 3.5 43.2 1.0 CB A:THR370 3.6 44.0 1.0 C A:THR370 3.6 42.7 1.0 CD A:ARG372 3.7 48.1 1.0 CA A:ARG372 3.9 38.5 1.0 CG A:PRO371 4.2 41.8 1.0 CG2 A:THR370 4.2 44.8 1.0 C A:PRO371 4.2 40.0 1.0 O A:THR370 4.4 42.8 1.0 CA A:PRO371 4.4 40.8 1.0 NE A:ARG372 4.7 53.9 1.0 OG1 A:THR370 4.8 44.3 1.0 N A:THR370 4.9 43.7 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1619978933


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 Z1619978933 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:35.2 occ:1.00 N A:ASP687 3.3 27.3 1.0 N A:ALA686 3.5 26.2 1.0 C A:LEU685 3.6 25.8 1.0 O A:HOH1007 3.6 48.3 1.0 CA A:LEU685 3.7 25.9 1.0 CD2 A:TYR688 3.8 29.1 1.0 CB A:LEU685 3.8 26.8 1.0 CB A:ASP687 3.9 30.0 1.0 CA A:ASP687 4.0 27.5 1.0 O A:LEU685 4.2 25.8 1.0 NE A:ARG348 4.2 37.7 1.0 C A:ALA686 4.3 27.2 1.0 OD2 A:ASP687 4.3 37.2 1.0 CD A:ARG348 4.3 34.6 1.0 CE2 A:TYR688 4.3 29.9 1.0 CD2 A:LEU685 4.3 28.8 1.0 CG A:ASP687 4.3 35.2 1.0 CA A:ALA686 4.3 26.6 1.0 N A:TYR688 4.4 26.6 1.0 C A:ASP687 4.5 27.2 1.0 CG A:LEU685 4.7 28.4 1.0 CB A:ALA686 4.8 26.4 1.0 CG A:TYR688 4.9 27.6 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z1619978933


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 Z1619978933 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:67.3 occ:1.00 N B:LYS254 3.6 37.1 1.0 CA B:PRO253 3.7 37.4 1.0 CG B:LYS254 3.9 46.7 1.0 CB B:PRO253 3.9 37.8 1.0 CE2 B:PHE124 4.1 30.9 1.0 C B:PRO253 4.2 37.3 1.0 CZ B:PHE124 4.3 30.9 1.0 CD2 B:PHE124 4.3 30.1 1.0 CD2 B:LEU251 4.5 36.6 1.0 CD B:LYS254 4.6 52.3 1.0 CE B:LYS254 4.6 57.7 1.0 CB B:LYS254 4.6 41.6 1.0 O B:ASP60 4.7 30.5 1.0 CA B:LYS254 4.7 37.6 1.0 CE1 B:PHE124 4.7 31.1 1.0 CG B:PHE124 4.7 29.3 1.0 CD1 B:PHE124 4.9 30.3 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.