Zinc in PDB 5lbu: Structure of the Human Quinone Reductase 2 (NQO2) in Complex with to CL097

All present enzymatic activity of Structure of the Human Quinone Reductase 2 (NQO2) in Complex with to CL097:
1.10.5.1;

The structure of Structure of the Human Quinone Reductase 2 (NQO2) in Complex with to CL097, PDB code: 5lbu 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)	44.30 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.694, 80.853, 106.016, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.8

The binding sites of Zinc atom in the Structure of the Human Quinone Reductase 2 (NQO2) in Complex with to CL097 (pdb code 5lbu). 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 to CL097, PDB code: 5lbu:
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 to CL097


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 to CL097 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:22.6 occ:1.00 ND1 A:HIS173 2.1 21.9 1.0 O A:CYS222 2.2 21.5 1.0 ND1 A:HIS177 2.2 22.2 1.0 SG A:CYS222 2.2 22.5 1.0 CB A:CYS222 2.8 21.6 1.0 C A:CYS222 3.0 21.8 1.0 CG A:HIS177 3.1 22.3 1.0 CE1 A:HIS173 3.1 22.4 1.0 CG A:HIS173 3.2 21.5 1.0 CE1 A:HIS177 3.2 23.4 1.0 CB A:HIS177 3.3 21.2 1.0 CA A:CYS222 3.4 21.8 1.0 CB A:HIS173 3.5 21.0 1.0 CA A:HIS173 3.7 20.3 1.0 N A:THR223 4.1 21.3 1.0 NE2 A:HIS173 4.2 22.6 1.0 CD2 A:HIS177 4.2 22.7 1.0 NE2 A:HIS177 4.3 22.6 1.0 CD2 A:HIS173 4.3 21.9 1.0 N A:HIS173 4.6 19.2 1.0 N A:CYS222 4.6 21.8 1.0 CA A:THR223 4.6 22.7 1.0 C A:HIS173 4.6 20.3 1.0 O A:GLN172 4.7 19.6 1.0 O A:HIS173 4.7 20.3 1.0 CA A:HIS177 4.8 20.4 1.0 C A:GLN172 4.9 19.6 1.0

Zinc binding site 2 out of 2 in the Structure of the Human Quinone Reductase 2 (NQO2) in Complex with to CL097


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 to CL097 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:22.2 occ:1.00 SG B:CYS222 2.1 21.9 1.0 O B:CYS222 2.1 22.0 1.0 ND1 B:HIS173 2.2 22.1 1.0 ND1 B:HIS177 2.3 24.7 1.0 CB B:CYS222 2.8 22.6 1.0 C B:CYS222 2.9 24.0 1.0 CG B:HIS177 3.1 22.9 1.0 CE1 B:HIS173 3.1 22.0 1.0 CG B:HIS173 3.2 21.5 1.0 CB B:HIS177 3.2 21.1 1.0 CE1 B:HIS177 3.3 24.5 1.0 CA B:CYS222 3.4 24.0 1.0 CB B:HIS173 3.5 20.9 1.0 CA B:HIS173 3.6 19.5 1.0 N B:THR223 4.0 24.8 1.0 NE2 B:HIS173 4.2 22.3 1.0 CD2 B:HIS177 4.2 22.9 1.0 CD2 B:HIS173 4.3 22.3 1.0 NE2 B:HIS177 4.3 24.0 1.0 N B:CYS222 4.5 25.0 1.0 N B:HIS173 4.5 19.4 1.0 C B:HIS173 4.6 18.9 1.0 O B:GLN172 4.6 18.8 1.0 O B:HIS173 4.6 19.5 1.0 CA B:THR223 4.7 24.7 1.0 CA B:HIS177 4.7 20.1 1.0 CE1 B:HIS227 4.9 21.2 1.0 C B:GLN172 4.9 18.9 1.0 CZ3 B:TRP169 5.0 20.6 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.