Zinc in PDB 5lbt: Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod

All present enzymatic activity of Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod:
1.10.5.1;

The structure of Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod, PDB code: 5lbt was solved by S.Schneider, O.Gross, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.40 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.689, 80.925, 106.198, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.7

The binding sites of Zinc atom in the Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod (pdb code 5lbt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod, PDB code: 5lbt:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:23.7 occ:1.00 ND1 A:HIS173 2.1 22.8 1.0 ND1 A:HIS177 2.2 23.8 1.0 O A:CYS222 2.2 23.4 1.0 SG A:CYS222 2.4 22.7 1.0 CB A:CYS222 2.8 22.6 1.0 C A:CYS222 3.0 23.1 1.0 CG A:HIS173 3.1 22.7 1.0 CG A:HIS177 3.1 22.9 1.0 CE1 A:HIS173 3.1 23.6 1.0 CE1 A:HIS177 3.2 24.8 1.0 CB A:HIS177 3.3 21.8 1.0 CB A:HIS173 3.4 21.9 1.0 CA A:CYS222 3.4 22.9 1.0 CA A:HIS173 3.6 21.2 1.0 N A:THR223 4.1 22.9 1.0 NE2 A:HIS173 4.2 23.8 1.0 CD2 A:HIS173 4.2 23.2 1.0 CD2 A:HIS177 4.2 23.1 1.0 NE2 A:HIS177 4.2 24.4 1.0 N A:HIS173 4.5 20.6 1.0 N A:CYS222 4.6 23.6 1.0 O A:HOH508 4.6 33.1 1.0 CA A:THR223 4.6 24.0 1.0 C A:HIS173 4.6 21.0 1.0 O A:HIS173 4.6 20.7 1.0 O A:GLN172 4.7 20.7 1.0 CA A:HIS177 4.8 21.1 1.0 O A:HOH507 4.9 35.0 1.0 C A:GLN172 4.9 20.3 1.0 CZ3 A:TRP169 5.0 23.1 1.0

Zinc binding site 2 out of 2 in the Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Human Quinone Reductase 2 (NQO2) in Complex with Imiquimod within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:24.2 occ:1.00 O B:CYS222 2.1 27.2 1.0 ND1 B:HIS173 2.1 23.3 1.0 ND1 B:HIS177 2.1 24.3 1.0 SG B:CYS222 2.3 24.7 1.0 CB B:CYS222 2.7 25.8 1.0 C B:CYS222 2.8 26.6 1.0 CE1 B:HIS173 3.0 24.4 1.0 CG B:HIS177 3.1 23.2 1.0 CE1 B:HIS177 3.1 24.9 1.0 CG B:HIS173 3.2 23.0 1.0 CB B:HIS177 3.3 21.9 1.0 CA B:CYS222 3.3 26.3 1.0 CB B:HIS173 3.5 22.3 1.0 CA B:HIS173 3.7 21.0 1.0 N B:THR223 3.9 26.6 1.0 NE2 B:HIS173 4.1 24.4 1.0 CD2 B:HIS177 4.2 23.6 1.0 NE2 B:HIS177 4.2 24.9 1.0 CD2 B:HIS173 4.2 24.0 1.0 N B:CYS222 4.5 27.4 1.0 CA B:THR223 4.6 27.1 1.0 N B:HIS173 4.6 20.6 1.0 C B:HIS173 4.7 20.7 1.0 O B:GLN172 4.7 21.9 1.0 O B:HIS173 4.7 21.1 1.0 CA B:HIS177 4.8 21.6 1.0 CZ3 B:TRP169 5.0 25.5 1.0

C.Gross, R.Mishra, K.Schneider, G.Medard, J.Wettmarshausen, D.Dittlein, O.Gorka, P.-A.Koenig, S.Fromm, G.Magnani, T.Cikovic, L.Hartjes, J.Smollich, A.Robertson, M.Cooper, M.Schmidt-Supprian, M.Schuster, K.Schroder, P.Broz, C.Traidl-Hoffmann, B.Kuester, J.Ruland, S.Schneider, F.Perocchi, O.Gross. Imiquimod Inhibits Mitochondrial Complex I and Induces K+ Efflux-Independent NLRP3 Inflammasome Activation Via NEK7 To Be Published.