Zinc in PDB 4u7f: Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat

All present enzymatic activity of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat:
1.10.99.2;

The structure of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat, PDB code: 4u7f was solved by K.K.Leung, B.H.Shilton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.94 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.120, 83.140, 106.460, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 22.4

The structure of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat also contains other interesting chemical elements:

Bromine

(Br)

16 atoms

The binding sites of Zinc atom in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat (pdb code 4u7f). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat, PDB code: 4u7f:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:24.0 occ:1.00 ND1 A:HIS177 1.9 28.8 1.0 ND1 A:HIS173 2.0 25.2 1.0 O A:CYS222 2.2 21.7 1.0 SG A:CYS222 2.2 23.8 1.0 CB A:CYS222 2.8 23.2 1.0 CE1 A:HIS173 2.8 28.1 1.0 CG A:HIS177 2.9 25.4 1.0 CE1 A:HIS177 2.9 23.3 1.0 C A:CYS222 3.0 19.0 1.0 CG A:HIS173 3.0 26.7 1.0 CB A:HIS177 3.2 17.3 1.0 CA A:CYS222 3.4 19.9 1.0 CB A:HIS173 3.5 19.7 1.0 CA A:HIS173 3.6 17.3 1.0 CD2 A:HIS177 4.0 29.9 1.0 NE2 A:HIS173 4.0 27.1 1.0 NE2 A:HIS177 4.0 31.9 1.0 N A:THR223 4.1 26.1 1.0 CD2 A:HIS173 4.1 24.5 1.0 N A:HIS173 4.6 15.7 1.0 O A:HIS173 4.6 20.5 1.0 N A:CYS222 4.6 24.0 1.0 C A:HIS173 4.6 15.9 1.0 O A:GLN172 4.6 20.0 1.0 CA A:THR223 4.6 22.4 1.0 H A:CYS222 4.7 28.8 1.0 CA A:HIS177 4.7 22.5 1.0 H A:THR223 4.7 31.4 1.0 HE2 A:HIS173 4.7 32.5 1.0 O A:HOH446 4.7 29.6 1.0 HE2 A:HIS177 4.8 38.2 1.0 CD1 A:TYR132 4.9 27.1 1.0 CE1 A:HIS227 4.9 26.6 1.0 CE1 A:TYR132 4.9 26.1 1.0 C A:GLN172 4.9 22.0 1.0

Zinc binding site 2 out of 2 in the Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Reduced Quinone Reductase 2 in Complex with CK2 Inhibitor Dmat within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:17.0 occ:1.00 ND1 B:HIS173 2.0 18.1 1.0 ND1 B:HIS177 2.1 18.0 1.0 O B:CYS222 2.1 17.0 1.0 SG B:CYS222 2.2 17.2 1.0 CB B:CYS222 2.8 14.4 1.0 CE1 B:HIS173 2.9 17.4 1.0 C B:CYS222 2.9 15.0 1.0 CG B:HIS173 3.0 16.8 1.0 CG B:HIS177 3.0 19.0 1.0 CE1 B:HIS177 3.1 16.2 1.0 CB B:HIS177 3.3 13.4 1.0 CB B:HIS173 3.4 13.7 1.0 CA B:CYS222 3.4 13.8 1.0 CA B:HIS173 3.6 12.3 1.0 N B:THR223 4.0 15.6 1.0 NE2 B:HIS173 4.0 16.2 1.0 CD2 B:HIS173 4.1 13.8 1.0 NE2 B:HIS177 4.2 23.4 1.0 CD2 B:HIS177 4.2 20.9 1.0 N B:HIS173 4.5 12.7 1.0 N B:CYS222 4.6 18.0 1.0 H B:CYS222 4.6 21.6 1.0 C B:HIS173 4.6 15.2 1.0 CA B:THR223 4.6 18.7 1.0 O B:HIS173 4.6 15.4 1.0 O B:GLN172 4.7 14.4 1.0 H B:THR223 4.7 18.8 1.0 HE2 B:HIS173 4.8 19.4 1.0 O B:HOH440 4.8 21.3 1.0 CA B:HIS177 4.9 14.9 1.0 C B:GLN172 4.9 13.3 1.0 CZ3 B:TRP169 5.0 18.3 1.0 HE2 B:HIS177 5.0 28.1 1.0

K.K.Leung, B.H.Shilton. Quinone Reductase 2 Is An Adventitious Target of Protein Kinase CK2 Inhibitors Tbbz (Tbi) and Dmat Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25379648