Zinc in PDB 3nhf: 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: 3nhf 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 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.655, 83.925, 106.465, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 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 3nhf). 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: 3nhf:
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:27.9 occ:1.00 ND1 A:HIS177 2.1 27.1 1.0 ND1 A:HIS173 2.1 25.8 1.0 SG A:CYS222 2.3 30.7 1.0 O A:CYS222 2.3 32.2 1.0 CB A:CYS222 2.7 33.7 1.0 C A:CYS222 2.9 32.0 1.0 CG A:HIS177 3.0 24.7 1.0 CG A:HIS173 3.1 20.6 1.0 CE1 A:HIS177 3.1 27.9 1.0 CE1 A:HIS173 3.1 23.2 1.0 CB A:HIS177 3.3 20.7 1.0 CB A:HIS173 3.3 19.6 1.0 CA A:CYS222 3.4 32.8 1.0 CA A:HIS173 3.6 18.0 1.0 N A:THR223 4.0 32.1 1.0 CD2 A:HIS177 4.2 27.9 1.0 NE2 A:HIS177 4.2 29.2 1.0 CD2 A:HIS173 4.2 22.8 1.0 NE2 A:HIS173 4.2 22.4 1.0 N A:CYS222 4.5 33.1 1.0 N A:HIS173 4.6 18.2 1.0 CA A:THR223 4.6 32.0 1.0 C A:HIS173 4.6 17.6 1.0 O A:HIS173 4.7 18.1 1.0 O A:GLN172 4.7 16.1 1.0 CA A:HIS177 4.8 20.5 1.0 O A:HOH326 4.9 33.4 1.0 C A:GLN172 4.9 17.6 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:19.2 occ:1.00 ND1 B:HIS173 2.0 16.9 1.0 ND1 B:HIS177 2.1 19.9 1.0 O B:CYS222 2.2 17.8 1.0 SG B:CYS222 2.3 16.7 1.0 CB B:CYS222 2.9 21.8 1.0 CE1 B:HIS173 3.0 17.8 1.0 C B:CYS222 3.0 20.6 1.0 CG B:HIS177 3.0 16.0 1.0 CG B:HIS173 3.0 15.2 1.0 CE1 B:HIS177 3.1 22.0 1.0 CB B:HIS177 3.3 11.2 1.0 CB B:HIS173 3.4 12.8 1.0 CA B:CYS222 3.5 20.6 1.0 CA B:HIS173 3.6 12.6 1.0 NE2 B:HIS173 4.1 16.3 1.0 N B:THR223 4.1 19.8 1.0 CD2 B:HIS173 4.1 15.2 1.0 CD2 B:HIS177 4.2 16.6 1.0 NE2 B:HIS177 4.2 21.7 1.0 N B:HIS173 4.6 12.3 1.0 CA B:THR223 4.6 19.6 1.0 C B:HIS173 4.6 11.5 1.0 N B:CYS222 4.6 20.8 1.0 O B:GLN172 4.7 10.2 1.0 O B:HIS173 4.7 10.9 1.0 CA B:HIS177 4.8 10.7 1.0 C B:GLN172 4.9 11.5 1.0 CZ3 B:TRP169 5.0 18.7 1.0

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