Chlorine in PDB 6sc5: DAB3/Hoip-Rbr-LIGAND2

All present enzymatic activity of DAB3/Hoip-Rbr-LIGAND2:
2.3.2.31;

The structure of DAB3/Hoip-Rbr-LIGAND2, PDB code: 6sc5 was solved by Y.-C.I.Tsai, H.Johansson, D.House, K.Rittinger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.26 / 2.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.578, 86.661, 240.223, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 25.2

The structure of DAB3/Hoip-Rbr-LIGAND2 also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Chlorine atom in the DAB3/Hoip-Rbr-LIGAND2 (pdb code 6sc5). 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 DAB3/Hoip-Rbr-LIGAND2, PDB code: 6sc5:

Chlorine binding site 1 out of 1 in the DAB3/Hoip-Rbr-LIGAND2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of DAB3/Hoip-Rbr-LIGAND2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2012 b:45.8 occ:1.00 N B:GLY104 3.1 42.5 1.0 N A:TRP798 3.3 44.3 1.0 O A:HOH2105 3.5 57.2 1.0 NZ A:LYS829 3.8 54.0 1.0 CE A:LYS829 3.8 53.1 1.0 CA B:ARG103 3.9 48.1 1.0 CA A:LEU797 3.9 46.8 1.0 CA B:GLY104 3.9 40.9 1.0 CD A:LYS829 4.0 50.2 1.0 C B:ARG103 4.0 44.9 1.0 CD1 A:TRP798 4.0 41.1 1.0 CB A:TRP798 4.0 42.1 1.0 CD2 A:LEU797 4.0 52.2 1.0 C A:LEU797 4.1 48.8 1.0 CA A:TRP798 4.1 42.9 1.0 O A:TRP798 4.2 49.3 1.0 N B:THR105 4.2 41.3 1.0 O A:PHE796 4.2 49.7 1.0 C B:GLY104 4.4 37.7 1.0 CG A:TRP798 4.4 42.1 1.0 O B:SER102 4.5 42.2 1.0 CB B:ARG103 4.5 41.1 1.0 CB A:LEU797 4.6 46.1 1.0 C A:TRP798 4.6 48.2 1.0 O B:THR105 4.8 39.8 1.0 CG A:LYS829 4.9 42.5 1.0 N A:LEU797 4.9 45.1 1.0 CG A:LEU797 5.0 52.9 1.0

Y.-C.I.Tsai, D.House, K.Rittinger. DAB3/Hoip-Rbr Apo Structure Cell Chem Biol 2019.
ISSN: ESSN 2451-9456