Chlorine in PDB 5n38: S65DPARKIN and Pub Complex

The structure of S65DPARKIN and Pub Complex, PDB code: 5n38 was solved by A.Kumar, V.K.Chaugule, C.Johnson, R.Toth, R.Sundaramoorthy, A.Knebel, H.Walden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.56 / 2.60
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	146.540, 146.540, 88.440, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 23.6

The structure of S65DPARKIN and Pub Complex also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Chlorine atom in the S65DPARKIN and Pub Complex (pdb code 5n38). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the S65DPARKIN and Pub Complex, PDB code: 5n38:

Chlorine binding site 1 out of 1 in the S65DPARKIN and Pub Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of S65DPARKIN and Pub Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2502 b:98.1 occ:1.00 OG1 A:THR237 2.9 39.9 1.0 O A:ALA397 2.9 48.5 1.0 O A:CYS238 3.1 41.1 1.0 CB A:THR237 3.5 36.5 1.0 CG2 A:THR242 3.6 48.3 1.0 CA A:ALA397 3.6 46.1 1.0 C A:ALA397 3.6 49.5 1.0 CA A:THR242 3.7 41.4 1.0 CB A:GLN400 3.7 42.1 1.0 CB A:THR242 3.8 51.4 1.0 C A:CYS238 3.8 39.8 1.0 CB A:ALA397 3.9 46.9 1.0 O A:THR237 3.9 41.4 1.0 C A:THR237 4.0 41.8 1.0 N A:ALA401 4.1 42.7 1.0 CB A:ALA401 4.2 41.6 1.0 N A:CYS238 4.3 36.6 1.0 CA A:THR237 4.4 37.3 1.0 N A:ILE239 4.4 35.9 1.0 CA A:ILE239 4.4 36.6 1.0 N A:THR242 4.5 40.7 1.0 C A:GLN400 4.5 46.3 1.0 CG A:GLN400 4.5 52.9 1.0 CA A:ALA401 4.6 41.7 1.0 CA A:GLN400 4.6 41.1 1.0 C A:THR242 4.6 47.6 1.0 CG2 A:THR237 4.7 31.9 1.0 O A:ILE239 4.7 46.9 1.0 CA A:CYS238 4.7 35.5 1.0 C A:ILE239 4.8 44.1 1.0 O A:THR242 4.9 50.9 1.0 N A:ALA398 4.9 45.9 1.0 N A:ALA397 5.0 47.5 1.0

A.Kumar, V.K.Chaugule, T.E.C.Condos, K.R.Barber, C.Johnson, R.Toth, R.Sundaramoorthy, A.Knebel, G.S.Shaw, H.Walden. Parkin-Phosphoubiquitin Complex Reveals Cryptic Ubiquitin-Binding Site Required For Rbr Ligase Activity. Nat. Struct. Mol. Biol. V. 24 475 2017.
ISSN: ESSN 1545-9985
PubMed: 28414322
DOI: 10.1038/NSMB.3400