Chlorine in PDB 6obn: The Crystal Structure of Coexpressed SDS22:PP1 Complex

All present enzymatic activity of The Crystal Structure of Coexpressed SDS22:PP1 Complex:
3.1.3.16;

The structure of The Crystal Structure of Coexpressed SDS22:PP1 Complex, PDB code: 6obn was solved by M.S.Choy, T.M.Moon, J.A.Bray, T.L.Archuleta, W.Shi, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 2.70
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.147, 94.147, 545.819, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 24.6

The structure of The Crystal Structure of Coexpressed SDS22:PP1 Complex also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the The Crystal Structure of Coexpressed SDS22:PP1 Complex (pdb code 6obn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Crystal Structure of Coexpressed SDS22:PP1 Complex, PDB code: 6obn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The Crystal Structure of Coexpressed SDS22:PP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Coexpressed SDS22:PP1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:71.3 occ:1.00 ND1 A:HIS239 3.4 54.4 1.0 N A:MET183 3.6 48.0 1.0 OG A:SER182 3.7 68.0 1.0 CE1 A:HIS239 3.9 59.7 1.0 CG A:MET183 3.9 41.4 1.0 CA A:SER182 4.2 58.4 1.0 CB A:MET183 4.2 51.3 1.0 CB A:SER182 4.3 59.2 1.0 C A:SER182 4.4 56.3 1.0 CA A:MET183 4.5 47.1 1.0 CG A:HIS239 4.6 56.5 1.0

Chlorine binding site 2 out of 3 in the The Crystal Structure of Coexpressed SDS22:PP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Coexpressed SDS22:PP1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:55.1 occ:1.00 NE A:ARG191 2.9 41.9 1.0 O A:HOH506 3.0 41.6 1.0 NH2 A:ARG191 3.3 38.6 1.0 CZ A:ARG191 3.6 36.0 1.0 CB A:ARG191 3.9 46.3 1.0 CG A:ARG191 4.0 36.8 1.0 CD A:ARG191 4.0 34.0 1.0 CD2 A:LEU47 4.2 47.4 1.0 N A:ARG191 4.2 44.9 1.0 CA A:ARG191 4.6 38.7 1.0 O A:ARG191 4.7 46.0 1.0 O A:LEU47 4.8 38.8 1.0 NH1 A:ARG191 4.9 37.3 1.0

Chlorine binding site 3 out of 3 in the The Crystal Structure of Coexpressed SDS22:PP1 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Coexpressed SDS22:PP1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:58.4 occ:1.00 NE B:ARG191 3.1 51.3 1.0 NH2 B:ARG191 3.2 32.6 1.0 CZ B:ARG191 3.6 43.1 1.0 O B:HOH507 3.9 38.0 1.0 CB B:ARG191 4.2 49.5 1.0 CD B:ARG191 4.2 38.6 1.0 CG B:ARG191 4.3 42.2 1.0 CD2 B:LEU47 4.3 37.2 1.0 N B:ARG191 4.4 41.3 1.0 O B:LEU47 4.7 44.3 1.0 CA B:ARG191 4.9 39.6 1.0 NH1 B:ARG191 4.9 43.0 1.0 O B:ARG191 4.9 49.1 1.0 O B:ILE189 5.0 43.6 1.0

M.S.Choy, T.M.Moon, R.Ravindran, J.A.Bray, L.C.Robinson, T.L.Archuleta, W.Shi, W.Peti, K.Tatchell, R.Page. SDS22 Selectively Recognizes and Traps Metal-Deficient Inactive PP1. Proc.Natl.Acad.Sci.Usa V. 116 20472 2019.
ISSN: ESSN 1091-6490
PubMed: 31548429
DOI: 10.1073/PNAS.1908718116