Chlorine in PDB 6hue: PARKINS65N

All present enzymatic activity of PARKINS65N:
2.3.2.31;

The structure of PARKINS65N, PDB code: 6hue was solved by T.G.Mcwilliams, E.Barini, R.Pohjolan-Pirhonen, S.P.Brooks, F.Singh, S.Burel, K.Balk, A.Kumar, L.Montava-Garriga, A.R.Prescott, S.M.Hassoun, F.Mouton-Liger, G.Ball, R.Hills, A.Knebel, A.Ulusoy, D.A.Di Monte, J.Tamjar, O.Antico, K.Fears, L.Smith, R.Brambilla, E.Palin, M.Valori, J.Eerola-Rautio, P.Tienari, O.Corti, S.B.Dunnett, I.G.Ganley, A.Suomalainen, M.M.K.Muqit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.98 / 2.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.431, 66.870, 206.690, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.5

The structure of PARKINS65N also contains other interesting chemical elements:

Zinc

(Zn)

16 atoms

The binding sites of Chlorine atom in the PARKINS65N (pdb code 6hue). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the PARKINS65N, PDB code: 6hue:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the PARKINS65N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PARKINS65N within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:84.3 occ:1.00 O A:LEU226 2.8 46.8 1.0 N A:TYR147 2.8 42.6 1.0 O A:TYR147 3.2 42.5 1.0 O A:ILE229 3.3 40.0 1.0 CZ2 A:TRP183 3.4 52.0 1.0 CH2 A:TRP183 3.5 49.9 1.0 C A:LEU226 3.5 46.5 1.0 CA A:TYR147 3.6 43.6 1.0 C A:PHE146 3.7 44.5 1.0 CB A:TYR147 3.7 43.1 1.0 CA A:PHE146 3.7 45.3 1.0 C A:TYR147 3.8 45.8 1.0 CD1 A:TYR147 4.0 44.4 1.0 N A:LEU226 4.1 45.2 1.0 CA A:LEU226 4.2 45.0 1.0 C A:ILE229 4.3 39.7 1.0 CB A:ILE229 4.3 45.6 1.0 N A:HIS227 4.4 49.5 1.0 CG A:TYR147 4.4 43.4 1.0 CB A:PHE146 4.4 46.4 1.0 O A:HOH603 4.4 44.9 1.0 CB A:LEU226 4.5 44.4 1.0 O A:SER145 4.5 49.6 1.0 N A:ILE229 4.6 41.1 1.0 O A:HIS227 4.6 50.9 1.0 CA A:ILE229 4.6 42.3 1.0 CE2 A:TRP183 4.6 54.1 1.0 CA A:HIS227 4.7 54.1 1.0 C A:HIS227 4.8 49.0 1.0 CZ3 A:TRP183 4.8 52.4 1.0 O A:PHE146 4.8 49.0 1.0 CG2 A:ILE229 4.9 44.7 1.0 N A:PHE146 4.9 44.5 1.0

Chlorine binding site 2 out of 2 in the PARKINS65N


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PARKINS65N within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl512 b:0.2 occ:1.00 N B:TYR147 2.7 49.8 1.0 O B:LEU226 2.7 43.2 1.0 O B:ILE229 3.0 49.1 1.0 O B:TYR147 3.3 44.1 1.0 CZ2 B:TRP183 3.4 53.3 1.0 CA B:TYR147 3.5 47.0 1.0 CB B:TYR147 3.5 46.5 1.0 C B:PHE146 3.5 47.2 1.0 CH2 B:TRP183 3.5 52.8 1.0 C B:LEU226 3.6 41.1 1.0 CA B:PHE146 3.6 47.2 1.0 CD1 B:TYR147 3.7 47.2 1.0 C B:TYR147 3.8 45.2 1.0 C B:ILE229 3.9 47.9 1.0 CG B:TYR147 4.1 46.5 1.0 CB B:ILE229 4.2 49.0 1.0 N B:LEU226 4.3 37.0 1.0 CA B:LEU226 4.3 37.9 1.0 O B:SER145 4.3 50.3 1.0 CA B:ILE229 4.4 47.5 1.0 N B:ILE229 4.4 44.0 1.0 O B:HIS227 4.4 47.0 1.0 N B:HIS227 4.4 43.7 1.0 CB B:LEU226 4.4 37.1 1.0 CB B:PHE146 4.5 48.2 1.0 CE2 B:TRP183 4.6 55.8 1.0 O B:PHE146 4.7 46.3 1.0 C B:HIS227 4.7 46.2 1.0 CG2 B:ILE229 4.7 50.0 1.0 N B:PHE146 4.8 49.3 1.0 CA B:HIS227 4.8 49.1 1.0 CZ3 B:TRP183 4.9 54.3 1.0 CE1 B:TYR147 4.9 47.9 1.0

T.G.Mcwilliams, E.Barini, R.Pohjolan-Pirhonen, S.P.Brooks, F.Singh, S.Burel, K.Balk, A.Kumar, L.Montava-Garriga, A.R.Prescott, S.M.Hassoun, F.Mouton-Liger, G.Ball, R.Hills, A.Knebel, A.Ulusoy, D.A.Di Monte, J.Tamjar, O.Antico, K.Fears, L.Smith, R.Brambilla, E.Palin, M.Valori, J.Eerola-Rautio, P.Tienari, O.Corti, S.B.Dunnett, I.G.Ganley, A.Suomalainen, M.M.K.Muqit. Phosphorylation of Parkin at Serine 65 Is Essential For Its Activationin Vivo. Open Biol V. 8 2018.
ISSN: ESSN 2046-2441
PubMed: 30404819
DOI: 10.1098/RSOB.180108