Chlorine in PDB 5c1z: Parkin (UBLR0RBR)

The structure of Parkin (UBLR0RBR), PDB code: 5c1z was solved by A.Kumar, J.D.Aguirre, T.E.C.Condos, R.J.Martinez-Torres, V.K.Chaugule, R.Toth, R.Sundaramoorthy, P.Mercier, A.Knebel, D.E.Spratt, K.R.Barber, G.S.Shaw, H.Walden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.36 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.310, 67.320, 206.230, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 21.2

The structure of Parkin (UBLR0RBR) also contains other interesting chemical elements:

Zinc

(Zn)

16 atoms

The binding sites of Chlorine atom in the Parkin (UBLR0RBR) (pdb code 5c1z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Parkin (UBLR0RBR), PDB code: 5c1z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Parkin (UBLR0RBR)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Parkin (UBLR0RBR) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:44.1 occ:1.00 O A:LEU226 2.8 29.7 1.0 O A:ILE229 2.9 27.0 1.0 N A:TYR147 2.9 24.8 1.0 CZ2 A:TRP183 3.3 33.4 1.0 CH2 A:TRP183 3.5 33.3 1.0 O A:TYR147 3.5 26.6 1.0 CB A:TYR147 3.6 24.9 1.0 CA A:TYR147 3.7 24.3 1.0 C A:LEU226 3.7 30.5 1.0 C A:PHE146 3.7 27.4 1.0 CA A:PHE146 3.8 24.9 1.0 CD1 A:TYR147 3.8 29.0 1.0 C A:ILE229 3.9 28.8 1.0 C A:TYR147 4.0 27.3 1.0 O A:HOH622 4.2 38.7 1.0 O A:SER145 4.2 30.6 1.0 CG A:TYR147 4.2 26.7 1.0 CA A:ILE229 4.4 25.9 1.0 CB A:ILE229 4.4 28.9 1.0 N A:ILE229 4.4 26.2 1.0 N A:LEU226 4.5 27.2 1.0 N A:HIS227 4.5 29.8 1.0 CA A:LEU226 4.5 27.8 1.0 CB A:PHE146 4.5 26.0 1.0 CE2 A:TRP183 4.5 34.5 1.0 CA A:HIS227 4.6 32.1 1.0 CB A:LEU226 4.7 28.4 1.0 C A:HIS227 4.8 32.3 1.0 CZ3 A:TRP183 4.8 32.5 1.0 N A:PHE146 4.8 26.4 1.0 O A:PHE146 4.9 25.8 1.0 O A:HIS227 4.9 30.7 1.0 CG2 A:ILE229 4.9 29.1 1.0 N A:ALA230 5.0 26.1 1.0 C A:SER145 5.0 30.8 1.0 CE1 A:TYR147 5.0 28.4 1.0

Chlorine binding site 2 out of 2 in the Parkin (UBLR0RBR)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Parkin (UBLR0RBR) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl512 b:43.9 occ:1.00 O B:LEU226 2.8 30.2 1.0 O B:ILE229 2.8 27.4 1.0 N B:TYR147 2.9 25.0 1.0 CZ2 B:TRP183 3.3 34.0 1.0 CH2 B:TRP183 3.5 33.7 1.0 O B:TYR147 3.5 26.9 1.0 CB B:TYR147 3.6 25.8 1.0 CA B:TYR147 3.7 24.5 1.0 C B:LEU226 3.7 31.2 1.0 C B:PHE146 3.7 27.6 1.0 CA B:PHE146 3.7 25.0 1.0 CD1 B:TYR147 3.8 29.6 1.0 C B:ILE229 3.9 29.3 1.0 C B:TYR147 4.1 27.2 1.0 O B:HOH621 4.1 36.6 1.0 CG B:TYR147 4.2 27.9 1.0 O B:SER145 4.3 29.5 1.0 CB B:ILE229 4.4 29.1 1.0 CA B:ILE229 4.4 25.9 1.0 N B:ILE229 4.4 26.4 1.0 N B:HIS227 4.5 30.5 1.0 N B:LEU226 4.5 26.9 1.0 CB B:PHE146 4.5 25.9 1.0 CE2 B:TRP183 4.5 34.8 1.0 CA B:LEU226 4.6 27.7 1.0 CA B:HIS227 4.6 32.5 1.0 CB B:LEU226 4.7 28.3 1.0 C B:HIS227 4.8 32.8 1.0 CZ3 B:TRP183 4.8 33.0 1.0 N B:PHE146 4.8 26.1 1.0 O B:PHE146 4.9 25.5 1.0 O B:HIS227 4.9 31.4 1.0 N B:ALA230 4.9 26.7 1.0 CG2 B:ILE229 4.9 30.3 1.0 CE1 B:TYR147 5.0 29.3 1.0 C B:SER145 5.0 29.9 1.0

A.Kumar, J.D.Aguirre, T.E.Condos, R.J.Martinez-Torres, V.K.Chaugule, R.Toth, R.Sundaramoorthy, P.Mercier, A.Knebel, D.E.Spratt, K.R.Barber, G.S.Shaw, H.Walden. Disruption of the Autoinhibited State Primes the E3 Ligase Parkin For Activation and Catalysis. Embo J. V. 34 2506 2015.
ISSN: ESSN 1460-2075
PubMed: 26254304
DOI: 10.15252/EMBJ.201592337