Zinc in PDB 3o2n: 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: 3o2n 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 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.438, 83.604, 106.511, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22

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 3o2n). 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: 3o2n:
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:28.0 occ:1.00 ND1 A:HIS177 2.0 30.1 1.0 ND1 A:HIS173 2.1 23.6 1.0 SG A:CYS222 2.2 30.1 1.0 O A:CYS222 2.2 30.3 1.0 CB A:CYS222 2.9 30.0 1.0 CG A:HIS177 2.9 27.8 1.0 C A:CYS222 2.9 31.9 1.0 CE1 A:HIS173 3.0 27.7 1.0 CE1 A:HIS177 3.0 31.5 1.0 CG A:HIS173 3.1 24.9 1.0 CB A:HIS177 3.2 20.6 1.0 CA A:CYS222 3.5 32.1 1.0 CB A:HIS173 3.5 18.9 1.0 CA A:HIS173 3.7 20.4 1.0 N A:THR223 4.0 31.6 1.0 CD2 A:HIS177 4.1 31.5 1.0 NE2 A:HIS173 4.1 25.8 1.0 NE2 A:HIS177 4.1 31.1 1.0 CD2 A:HIS173 4.2 23.8 1.0 CA A:THR223 4.5 31.9 1.0 N A:CYS222 4.6 32.5 1.0 N A:HIS173 4.6 20.0 1.0 C A:HIS173 4.6 19.3 1.0 O A:HIS173 4.7 20.3 1.0 O A:GLN172 4.7 20.9 1.0 CA A:HIS177 4.7 21.7 1.0 CD1 A:TYR132 5.0 23.0 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:Zn231 b:20.3 occ:1.00 ND1 B:HIS177 2.0 21.6 1.0 ND1 B:HIS173 2.1 19.8 1.0 O B:CYS222 2.1 18.9 1.0 SG B:CYS222 2.3 20.9 1.0 CB B:CYS222 2.9 19.9 1.0 C B:CYS222 2.9 20.2 1.0 CE1 B:HIS173 3.0 20.2 1.0 CE1 B:HIS177 3.0 18.3 1.0 CG B:HIS177 3.0 16.0 1.0 CG B:HIS173 3.1 17.7 1.0 CB B:HIS177 3.3 13.8 1.0 CA B:CYS222 3.5 19.7 1.0 CB B:HIS173 3.5 16.1 1.0 CA B:HIS173 3.6 14.0 1.0 N B:THR223 4.1 20.2 1.0 NE2 B:HIS173 4.1 18.5 1.0 NE2 B:HIS177 4.1 19.8 1.0 CD2 B:HIS177 4.2 19.9 1.0 CD2 B:HIS173 4.2 18.9 1.0 N B:HIS173 4.5 13.2 1.0 N B:CYS222 4.6 21.3 1.0 CA B:THR223 4.6 20.3 1.0 C B:HIS173 4.6 13.5 1.0 O B:HIS173 4.6 13.8 1.0 O B:GLN172 4.6 14.2 1.0 CA B:HIS177 4.9 14.0 1.0 C B:GLN172 4.9 15.0 1.0

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