Chlorine in PDB 6e5z: Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106

All present enzymatic activity of Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106:
3.5.1.124;

The structure of Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106, PDB code: 6e5z was solved by I.A.Shumilin, S.V.Shumilina, W.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.40 / 1.35
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.715, 74.715, 74.807, 90.00, 90.00, 120.00
R / Rfree (%)	11.2 / 13.9

The binding sites of Chlorine atom in the Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106 (pdb code 6e5z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106, PDB code: 6e5z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:15.4 occ:0.70 O A:HOH423 3.2 17.8 1.0 N A:ASN76 3.2 12.9 1.0 NH1 A:ARG48 3.3 12.7 1.0 O A:HOH391 3.3 15.3 1.0 CA A:GLY75 3.6 14.1 1.0 OZ1 A:CCS106 3.7 39.3 1.0 C A:GLY75 3.9 14.0 1.0 ND2 A:ASN76 3.9 22.6 1.0 CG A:ASN76 4.1 19.2 1.0 CB A:ASN76 4.2 15.3 1.0 CE A:CCS106 4.2 30.8 1.0 CA A:ASN76 4.3 13.8 1.0 CZ A:ARG48 4.3 11.9 1.0 NH2 A:ARG48 4.4 14.4 1.0 CB A:SER47 4.5 11.0 1.0 N A:GLY75 4.6 12.5 1.0 OG A:SER47 4.7 12.7 1.0 OZ2 A:CCS106 4.7 19.4 1.0 OD1 A:ASN76 4.8 25.1 1.0 CG A:GLU15 4.9 12.7 1.0 CD A:CCS106 5.0 22.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Dj-1 with A Natural Modification on Cys-106 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:33.9 occ:0.70 O A:HOH517 3.0 42.8 1.0 O A:HOH523 3.0 42.6 1.0 CE1 A:HIS126 3.5 13.2 1.0 CD1 A:LEU128 4.0 16.4 1.0 CG A:LEU128 4.0 13.6 1.0 NE2 A:HIS126 4.3 13.1 1.0 ND1 A:HIS126 4.5 12.4 1.0 CD2 A:LEU128 4.6 25.5 1.0 CB A:PRO127 4.7 16.1 1.0 CG A:PRO127 4.8 17.8 1.0

A.Mussakhmetov, I.A.Shumilin, R.Nugmanova, I.G.Shabalin, T.Baizhumanov, D.Toibazar, B.Khassenov, W.Minor, D.Utepbergenov. A Transient Post-Translational Modification of Active Site Cysteine Alters Binding Properties of the Parkinsonism Protein Dj-1. Biochem. Biophys. Res. V. 504 328 2018COMMUN..
ISSN: ESSN 1090-2104
PubMed: 30190129
DOI: 10.1016/J.BBRC.2018.08.190