Chlorine in PDB 6sc8: DAB3/Hoip-Rbr-LIGAND4

All present enzymatic activity of DAB3/Hoip-Rbr-LIGAND4:
2.3.2.31;

The structure of DAB3/Hoip-Rbr-LIGAND4, PDB code: 6sc8 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)	51.03 / 2.11
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.919, 87.770, 241.831, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 26.1

The structure of DAB3/Hoip-Rbr-LIGAND4 also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Chlorine atom in the DAB3/Hoip-Rbr-LIGAND4 (pdb code 6sc8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the DAB3/Hoip-Rbr-LIGAND4, PDB code: 6sc8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the DAB3/Hoip-Rbr-LIGAND4


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-LIGAND4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2012 b:53.1 occ:1.00 N A:TRP798 3.2 49.0 1.0 N B:GLY104 3.2 51.7 1.0 O A:HOH2117 3.3 54.2 1.0 NZ A:LYS829 3.6 64.2 1.0 CA A:LEU797 3.9 56.9 1.0 CB A:TRP798 3.9 48.1 1.0 CA B:ARG103 3.9 60.1 1.0 CE A:LYS829 4.0 65.0 1.0 CD2 A:LEU797 4.0 59.0 1.0 CD1 A:TRP798 4.0 47.9 1.0 C A:LEU797 4.0 57.6 1.0 CD A:LYS829 4.0 69.8 1.0 CA B:GLY104 4.1 45.7 1.0 C B:ARG103 4.1 61.7 1.0 CA A:TRP798 4.1 51.4 1.0 O A:TRP798 4.2 66.4 1.0 O A:PHE796 4.2 55.6 1.0 N B:THR105 4.3 49.1 1.0 CG A:TRP798 4.4 49.5 1.0 C B:GLY104 4.5 45.8 1.0 O B:SER102 4.5 54.6 1.0 C A:TRP798 4.6 53.9 1.0 CB B:ARG103 4.6 50.0 1.0 CB A:LEU797 4.6 55.6 1.0 O B:THR105 4.8 50.2 1.0 N A:LEU797 4.9 56.2 1.0 CG A:LYS829 4.9 53.5 1.0 CG A:LEU797 5.0 60.2 1.0 C A:PHE796 5.0 60.2 1.0 CG B:ARG103 5.0 57.9 1.0

Chlorine binding site 2 out of 2 in the DAB3/Hoip-Rbr-LIGAND4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of DAB3/Hoip-Rbr-LIGAND4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:81.9 occ:1.00 OH B:TYR32 3.6 72.8 1.0 OG1 B:THR28 3.6 76.8 1.0 N B:THR28 3.7 64.3 1.0 CB B:THR28 4.2 67.0 1.0 CB B:PHE27 4.2 64.1 1.0 CA B:PHE27 4.2 60.1 1.0 CE1 B:TYR32 4.2 59.5 1.0 CZ B:TYR32 4.4 59.0 1.0 C B:PHE27 4.5 63.2 1.0 CA B:THR28 4.6 67.2 1.0

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