Zinc in PDB 3nhr: X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2

All present enzymatic activity of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2:
1.10.99.2;

The structure of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2, PDB code: 3nhr was solved by M.Sturdy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.781, 83.610, 106.632, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.6

The binding sites of Zinc atom in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2 (pdb code 3nhr). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2, PDB code: 3nhr:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn231 b:21.7 occ:1.00 SG A:CYS222 2.0 22.4 1.0 ND1 A:HIS177 2.1 24.9 1.0 ND1 A:HIS173 2.1 18.3 1.0 O A:CYS222 2.3 23.6 1.0 CB A:CYS222 2.9 20.9 1.0 C A:CYS222 3.0 22.9 1.0 CG A:HIS177 3.0 19.3 1.0 CG A:HIS173 3.1 18.2 1.0 CE1 A:HIS173 3.1 20.1 1.0 CE1 A:HIS177 3.1 25.4 1.0 CB A:HIS177 3.2 15.3 1.0 CB A:HIS173 3.4 14.9 1.0 CA A:CYS222 3.5 23.2 1.0 CA A:HIS173 3.7 14.7 1.0 N A:THR223 4.1 24.8 1.0 CD2 A:HIS177 4.2 24.1 1.0 NE2 A:HIS177 4.2 24.6 1.0 NE2 A:HIS173 4.2 16.9 1.0 CD2 A:HIS173 4.2 18.9 1.0 O A:HOH333 4.4 43.1 1.0 CA A:THR223 4.5 23.9 1.0 N A:CYS222 4.6 24.0 1.0 O A:HIS173 4.6 13.2 1.0 C A:HIS173 4.6 11.9 1.0 O A:GLN172 4.6 14.9 1.0 N A:HIS173 4.6 13.6 1.0 CA A:HIS177 4.8 15.9 1.0 C A:GLN172 4.9 14.0 1.0

Zinc binding site 2 out of 2 in the X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystallographic Structure Activity Relationship (Sar) of Casimiroin and Its Analogs Bound to Human Quinone Reductase 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn232 b:15.6 occ:1.00 ND1 B:HIS177 2.0 17.2 1.0 ND1 B:HIS173 2.1 11.8 1.0 O B:CYS222 2.2 13.9 1.0 SG B:CYS222 2.2 15.9 1.0 CB B:CYS222 2.9 14.2 1.0 C B:CYS222 3.0 14.0 1.0 CE1 B:HIS177 3.0 16.5 1.0 CG B:HIS177 3.0 13.4 1.0 CE1 B:HIS173 3.1 14.9 1.0 CG B:HIS173 3.1 14.3 1.0 CB B:HIS177 3.3 8.2 1.0 CB B:HIS173 3.5 11.9 1.0 CA B:CYS222 3.5 15.0 1.0 CA B:HIS173 3.6 12.0 1.0 N B:THR223 4.1 14.9 1.0 NE2 B:HIS177 4.1 17.5 1.0 CD2 B:HIS177 4.2 16.4 1.0 NE2 B:HIS173 4.2 11.3 1.0 CD2 B:HIS173 4.2 13.6 1.0 N B:CYS222 4.5 15.7 1.0 CA B:THR223 4.5 16.2 1.0 N B:HIS173 4.6 10.7 1.0 C B:HIS173 4.6 9.1 1.0 O B:HIS173 4.6 9.5 1.0 O B:GLN172 4.6 10.8 1.0 CA B:HIS177 4.9 9.8 1.0 C B:GLN172 4.9 11.2 1.0 CZ3 B:TRP169 5.0 14.5 1.0 CE1 B:HIS227 5.0 12.1 1.0

M.Sturdy, M.Sturdy. N/A N/A.