Zinc in PDB 4zvn: Reduced Quinone Reductase 2 in Complex with Acridine Orange

All present enzymatic activity of Reduced Quinone Reductase 2 in Complex with Acridine Orange:
1.10.99.2;

The structure of Reduced Quinone Reductase 2 in Complex with Acridine Orange, PDB code: 4zvn 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)	19.51 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.640, 82.860, 106.230, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.6

The binding sites of Zinc atom in the Reduced Quinone Reductase 2 in Complex with Acridine Orange (pdb code 4zvn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Reduced Quinone Reductase 2 in Complex with Acridine Orange, PDB code: 4zvn:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Reduced Quinone Reductase 2 in Complex with Acridine Orange


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 Acridine Orange within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:17.1 occ:1.00 ND1 A:HIS173 2.0 12.9 1.0 ND1 A:HIS177 2.0 17.9 1.0 O A:CYS222 2.1 16.7 1.0 SG A:CYS222 2.2 14.7 1.0 CB A:CYS222 2.9 16.6 1.0 CE1 A:HIS173 2.9 15.2 1.0 C A:CYS222 3.0 16.8 1.0 CG A:HIS177 3.0 16.3 1.0 CE1 A:HIS177 3.0 17.4 1.0 CG A:HIS173 3.1 14.9 1.0 CB A:HIS177 3.3 14.4 1.0 CA A:CYS222 3.5 13.6 1.0 CB A:HIS173 3.5 13.1 1.0 CA A:HIS173 3.6 15.0 1.0 NE2 A:HIS173 4.0 15.6 1.0 N A:THR223 4.0 15.5 1.0 CD2 A:HIS177 4.1 16.8 1.0 NE2 A:HIS177 4.1 17.3 1.0 CD2 A:HIS173 4.1 15.9 1.0 N A:HIS173 4.6 14.0 1.0 O A:GLN172 4.6 12.9 1.0 CA A:THR223 4.6 18.2 1.0 C A:HIS173 4.6 12.5 1.0 N A:CYS222 4.6 16.4 1.0 O A:HIS173 4.7 12.7 1.0 H A:CYS222 4.7 19.6 1.0 H A:THR223 4.7 18.6 1.0 CA A:HIS177 4.8 12.6 1.0 HE2 A:HIS173 4.8 18.8 1.0 C A:GLN172 4.9 12.5 1.0 HE2 A:HIS177 4.9 20.7 1.0 CE1 A:TYR132 4.9 14.6 1.0 CZ3 A:TRP169 5.0 13.5 1.0

Zinc binding site 2 out of 3 in the Reduced Quinone Reductase 2 in Complex with Acridine Orange


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 Acridine Orange within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:20.0 occ:1.00 ND1 B:HIS173 2.1 18.4 1.0 ND1 B:HIS177 2.1 26.2 1.0 O B:CYS222 2.1 19.9 1.0 SG B:CYS222 2.2 18.1 1.0 CB B:CYS222 2.8 17.9 1.0 C B:CYS222 2.9 20.5 1.0 CE1 B:HIS173 3.0 18.3 1.0 CG B:HIS177 3.0 20.7 1.0 CG B:HIS173 3.1 15.8 1.0 CE1 B:HIS177 3.1 23.6 1.0 CB B:HIS177 3.2 17.9 1.0 CA B:CYS222 3.4 18.7 1.0 CB B:HIS173 3.4 15.7 1.0 CA B:HIS173 3.6 14.9 1.0 N B:THR223 4.1 23.9 1.0 NE2 B:HIS173 4.1 16.6 1.0 CD2 B:HIS177 4.2 26.4 1.0 CD2 B:HIS173 4.2 16.9 1.0 NE2 B:HIS177 4.2 22.7 1.0 N B:HIS173 4.6 15.4 1.0 N B:CYS222 4.6 20.6 1.0 O B:GLN172 4.6 14.0 1.0 C B:HIS173 4.6 15.4 1.0 H B:CYS222 4.6 24.7 1.0 CA B:THR223 4.7 21.5 1.0 O B:HIS173 4.7 14.8 1.0 H B:THR223 4.7 28.6 1.0 O B:HOH519 4.7 43.4 1.0 CA B:HIS177 4.8 18.0 1.0 C B:GLN172 4.9 16.0 1.0 HE2 B:HIS173 4.9 20.0 1.0 CE1 B:TYR132 4.9 20.2 1.0 HE2 B:HIS177 5.0 27.3 1.0

Zinc binding site 3 out of 3 in the Reduced Quinone Reductase 2 in Complex with Acridine Orange


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Reduced Quinone Reductase 2 in Complex with Acridine Orange within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn304 b:25.7 occ:1.00 HE2 B:HIS72 1.3 30.4 1.0 OD2 B:ASP127 2.0 24.0 1.0 NE2 B:HIS72 2.1 25.3 1.0 O B:HOH508 2.1 22.5 1.0 CG B:ASP127 2.8 27.2 1.0 CE1 B:HIS72 3.0 31.2 1.0 OD1 B:ASP127 3.0 25.1 1.0 CD2 B:HIS72 3.2 23.6 1.0 HE21 B:GLN122 4.0 35.3 1.0 CA B:GLY123 4.0 20.9 1.0 HZ3 B:LYS76 4.1 57.4 1.0 CD B:LYS76 4.1 38.8 1.0 ND1 B:HIS72 4.1 27.8 1.0 CB B:ASP127 4.2 22.5 1.0 CG B:HIS72 4.3 27.6 1.0 N B:GLY123 4.4 24.9 1.0 H B:GLY123 4.5 29.8 1.0 NE2 B:GLN122 4.6 29.4 1.0 CG B:GLN122 4.6 23.1 1.0 CG B:LYS76 4.7 32.9 1.0 CE B:LYS76 4.8 35.1 1.0 NZ B:LYS76 4.8 47.8 1.0 HD1 B:HIS72 4.9 33.4 1.0

K.K.Leung, B.H.Shilton. Binding of Dna-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry V. 54 7438 2015.
ISSN: ISSN 0006-2960
PubMed: 26636353
DOI: 10.1021/ACS.BIOCHEM.5B00884