Chlorine in PDB 5sds: Pandda Analysis Group Deposition of Ground-State Model of Porphyromonas Gingivalis DPP11

The structure of Pandda Analysis Group Deposition of Ground-State Model of Porphyromonas Gingivalis DPP11, PDB code: 5sds 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)	91.84 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.773, 117.328, 147.556, 90, 90, 90
R / Rfree (%)	21.3 / 24.7

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition of Ground-State Model of Porphyromonas Gingivalis DPP11 (pdb code 5sds). 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 of Ground-State Model of Porphyromonas Gingivalis DPP11, PDB code: 5sds:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Pandda Analysis Group Deposition of Ground-State Model of Porphyromonas Gingivalis DPP11


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 of Ground-State Model of Porphyromonas Gingivalis DPP11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:71.3 occ:1.00 CG A:ARG372 3.3 48.5 1.0 CB A:ARG372 3.4 42.9 1.0 CB A:THR370 3.5 54.8 1.0 CD A:PRO371 3.5 46.8 1.0 N A:ARG372 3.5 39.2 1.0 CA A:THR370 3.5 52.6 1.0 N A:PRO371 3.7 48.1 1.0 CG2 A:THR370 3.8 58.8 1.0 C A:THR370 3.8 48.8 1.0 NE A:ARG372 3.9 63.5 1.0 CD A:ARG372 4.0 56.5 1.0 CA A:ARG372 4.0 41.6 1.0 C A:PRO371 4.5 41.4 1.0 CG A:PRO371 4.6 47.9 1.0 O A:THR370 4.6 46.2 1.0 CA A:PRO371 4.7 44.1 1.0 OG1 A:THR370 4.8 53.7 1.0 N A:THR370 4.9 48.9 1.0

Chlorine binding site 2 out of 3 in the Pandda Analysis Group Deposition of Ground-State Model of Porphyromonas Gingivalis DPP11


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 of Ground-State Model of Porphyromonas Gingivalis DPP11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:43.5 occ:1.00 N A:ASP687 3.4 30.8 1.0 N A:ALA686 3.5 29.9 1.0 C A:LEU685 3.5 29.7 1.0 CA A:LEU685 3.6 30.4 1.0 CB A:LEU685 3.8 31.5 1.0 CD2 A:TYR688 3.9 28.6 1.0 CB A:ASP687 4.0 35.9 1.0 O A:HOH955 4.0 64.6 1.0 CA A:ASP687 4.2 31.9 1.0 O A:LEU685 4.2 28.8 1.0 CD2 A:LEU685 4.2 37.0 1.0 NE A:ARG348 4.2 36.8 1.0 OD2 A:ASP687 4.2 40.7 1.0 CD A:ARG348 4.3 39.9 1.0 CE2 A:TYR688 4.4 28.5 1.0 C A:ALA686 4.4 26.5 1.0 CG A:ASP687 4.4 36.7 1.0 CA A:ALA686 4.5 30.3 1.0 N A:TYR688 4.5 27.5 1.0 CG A:LEU685 4.7 34.1 1.0 C A:ASP687 4.7 30.6 1.0 CB A:ALA686 5.0 29.7 1.0 CG A:TYR688 5.0 27.3 1.0

Chlorine binding site 3 out of 3 in the Pandda Analysis Group Deposition of Ground-State Model of Porphyromonas Gingivalis DPP11


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 of Ground-State Model of Porphyromonas Gingivalis DPP11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl801 b:60.7 occ:1.00 N B:LYS254 3.8 37.7 1.0 CA B:PRO253 4.0 36.4 1.0 CG B:LYS254 4.0 51.4 1.0 CE2 B:PHE124 4.1 28.5 1.0 CB B:PRO253 4.2 40.1 1.0 CD2 B:PHE124 4.3 28.4 1.0 CZ B:PHE124 4.3 31.5 1.0 C B:PRO253 4.4 36.1 1.0 CD2 B:LEU251 4.5 42.0 1.0 O B:ASP60 4.5 29.5 1.0 CG B:PHE124 4.6 26.4 1.0 CE1 B:PHE124 4.6 32.7 1.0 CE B:LYS254 4.6 60.6 1.0 CD B:LYS254 4.7 56.0 1.0 CB B:LYS254 4.7 44.9 1.0 CD1 B:PHE124 4.8 30.8 1.0 CA B:LYS254 4.9 40.0 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 of Ground-State Model To Be Published.