Chlorine in PDB 5sdp: Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2277255954

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2277255954, PDB code: 5sdp 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)	84.03 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.111, 117.236, 147.926, 90, 90, 90
R / Rfree (%)	21.6 / 24.8

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2277255954 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 Z2277255954 (pdb code 5sdp). 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 Z2277255954, PDB code: 5sdp:
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 Z2277255954


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 Z2277255954 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:82.0 occ:1.00 CB A:THR370 3.4 58.5 1.0 CA A:THR370 3.4 56.2 1.0 CG A:ARG372 3.5 52.2 1.0 C A:THR370 3.7 54.6 1.0 N A:ARG372 3.7 50.1 1.0 CB A:ARG372 3.7 49.9 1.0 CD A:PRO371 3.7 51.9 1.0 CD A:ARG372 3.7 56.7 1.0 N A:PRO371 3.7 53.1 1.0 CG2 A:THR370 3.8 59.2 1.0 CA A:ARG372 4.3 49.3 1.0 O A:THR370 4.4 54.7 1.0 NE A:ARG372 4.4 62.4 1.0 CG A:PRO371 4.6 53.0 1.0 C A:PRO371 4.7 51.4 1.0 OG1 A:THR370 4.7 60.2 1.0 CA A:PRO371 4.7 52.1 1.0 N A:THR370 4.8 56.7 1.0 O A:GLY369 4.9 57.6 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2277255954


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 Z2277255954 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:60.5 occ:1.00 N A:ASP687 3.2 32.2 1.0 O A:HOH954 3.5 46.5 1.0 N A:ALA686 3.6 32.4 1.0 C A:LEU685 3.6 32.8 1.0 CB A:ASP687 3.7 35.4 1.0 CA A:LEU685 3.7 33.6 1.0 CB A:LEU685 3.9 35.1 1.0 CA A:ASP687 3.9 32.4 1.0 CD2 A:TYR688 4.0 29.8 1.0 OD2 A:ASP687 4.0 45.1 1.0 CG A:ASP687 4.1 42.5 1.0 O A:LEU685 4.2 33.4 1.0 C A:ALA686 4.2 32.2 1.0 CD2 A:LEU685 4.2 39.1 1.0 CA A:ALA686 4.3 32.4 1.0 N A:TYR688 4.4 30.6 1.0 CE2 A:TYR688 4.5 30.4 1.0 C A:ASP687 4.5 31.8 1.0 CB A:ALA686 4.6 32.4 1.0 CG A:LEU685 4.7 38.4 1.0 NE A:ARG348 4.8 45.3 1.0 CD A:ARG348 4.8 42.9 1.0 OD1 A:ASP687 5.0 43.5 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of Porphyromonas Gingivalis in Complex with Z2277255954


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 Z2277255954 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:71.0 occ:1.00 N B:LYS254 3.7 51.6 1.0 CA B:PRO253 3.9 52.2 1.0 CB B:PRO253 3.9 52.6 1.0 CG B:LYS254 4.0 57.6 1.0 CE2 B:PHE124 4.0 41.3 1.0 CZ B:PHE124 4.2 41.4 1.0 CD2 B:PHE124 4.3 40.2 1.0 C B:PRO253 4.3 52.3 1.0 CE B:LYS254 4.5 66.6 1.0 O B:ASP60 4.5 41.1 1.0 CE1 B:PHE124 4.6 41.3 1.0 CD2 B:LEU251 4.6 48.3 1.0 CG B:PHE124 4.7 39.1 1.0 CB B:LYS254 4.7 53.5 1.0 CD B:LYS254 4.7 62.3 1.0 CA B:LYS254 4.7 51.4 1.0 CD1 B:PHE124 4.8 40.2 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.