Chlorine in PDB 6afb: Dj-1 C106S Incubated with Isatin

All present enzymatic activity of Dj-1 C106S Incubated with Isatin:
3.5.1.124;

The structure of Dj-1 C106S Incubated with Isatin, PDB code: 6afb was solved by J.M.M.Caaveiro, S.Tashiro, K.Tsumoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.40 / 1.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.860, 74.860, 74.690, 90.00, 90.00, 120.00
R / Rfree (%)	14.5 / 17.2

The binding sites of Chlorine atom in the Dj-1 C106S Incubated with Isatin (pdb code 6afb). 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 Dj-1 C106S Incubated with Isatin, PDB code: 6afb:

Chlorine binding site 1 out of 1 in the Dj-1 C106S Incubated with Isatin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dj-1 C106S Incubated with Isatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:18.9 occ:1.00 N A:ASN76 3.4 12.7 1.0 O A:HOH315 3.4 15.1 1.0 NH1 A:ARG48 3.5 10.6 1.0 CA A:GLY75 3.7 10.7 1.0 O A:HOH380 4.0 11.5 1.0 C A:GLY75 4.0 11.6 1.0 CB A:ASN76 4.2 13.7 0.5 C1 A:DMS204 4.2 19.1 0.8 NH2 A:ARG48 4.3 12.0 1.0 CB A:ASN76 4.4 17.1 0.5 CZ A:ARG48 4.4 11.7 1.0 C2 A:DMS204 4.4 18.1 0.8 CA A:ASN76 4.4 12.7 0.5 CA A:ASN76 4.5 14.0 0.5 O A:HOH350 4.5 13.4 1.0 N A:GLY75 4.6 10.4 1.0 O A:DMS204 4.6 21.6 0.8 S A:DMS204 4.8 20.1 0.8 CG A:GLU15 4.9 10.6 1.0

S.Tashiro, J.M.M.Caaveiro, M.Nakakido, A.Tanabe, S.Nagatoishi, Y.Tamura, N.Matsuda, D.Liu, Q.Q.Hoang, K.Tsumoto. Discovery and Optimization of Inhibitors of the Parkinson'S Disease Associated Protein Dj-1. Acs Chem. Biol. V. 13 2783 2018.
ISSN: ESSN 1554-8937
PubMed: 30063823
DOI: 10.1021/ACSCHEMBIO.8B00701