Zinc in PDB 3nhk: 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: 3nhk 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 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.751, 83.661, 106.513, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.8

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 3nhk). 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: 3nhk:
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:29.4 occ:1.00 ND1 A:HIS173 2.1 21.4 1.0 O A:CYS222 2.2 31.8 1.0 SG A:CYS222 2.3 29.1 1.0 ND1 A:HIS177 2.3 28.0 1.0 CB A:CYS222 2.9 30.3 1.0 C A:CYS222 2.9 30.5 1.0 CG A:HIS173 3.1 18.9 1.0 CE1 A:HIS173 3.1 22.0 1.0 CG A:HIS177 3.2 25.6 1.0 CB A:HIS173 3.3 19.3 1.0 CB A:HIS177 3.3 19.2 1.0 CE1 A:HIS177 3.4 28.6 1.0 CA A:CYS222 3.4 30.4 1.0 CA A:HIS173 3.6 19.0 1.0 N A:THR223 4.0 31.6 1.0 CD2 A:HIS173 4.2 20.6 1.0 NE2 A:HIS173 4.2 24.8 1.0 CD2 A:HIS177 4.4 28.1 1.0 NE2 A:HIS177 4.4 28.1 1.0 N A:HIS173 4.5 18.7 1.0 CA A:THR223 4.5 30.7 1.0 C A:HIS173 4.6 18.1 1.0 N A:CYS222 4.6 30.1 1.0 O A:HIS173 4.6 17.0 1.0 O A:GLN172 4.7 18.0 1.0 CA A:HIS177 4.9 18.9 1.0 C A:GLN172 4.9 18.9 1.0 CE1 A:HIS227 4.9 30.6 1.0 CZ3 A:TRP169 4.9 22.8 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:21.7 occ:1.00 ND1 B:HIS173 2.1 18.7 1.0 ND1 B:HIS177 2.2 26.7 1.0 SG B:CYS222 2.3 20.9 1.0 O B:CYS222 2.3 18.8 1.0 CB B:CYS222 2.9 22.4 1.0 C B:CYS222 3.0 21.8 1.0 CE1 B:HIS173 3.0 20.7 1.0 CG B:HIS177 3.0 17.5 1.0 CG B:HIS173 3.1 18.6 1.0 CB B:HIS177 3.2 14.9 1.0 CE1 B:HIS177 3.2 24.4 1.0 CB B:HIS173 3.4 16.9 1.0 CA B:CYS222 3.4 22.1 1.0 CA B:HIS173 3.6 16.2 1.0 N B:THR223 4.1 21.3 1.0 NE2 B:HIS173 4.1 19.6 1.0 CD2 B:HIS173 4.2 19.0 1.0 CD2 B:HIS177 4.2 20.8 1.0 NE2 B:HIS177 4.3 25.9 1.0 N B:HIS173 4.6 16.2 1.0 C B:HIS173 4.6 15.8 1.0 N B:CYS222 4.6 21.7 1.0 CA B:THR223 4.6 20.8 1.0 O B:HIS173 4.6 15.3 1.0 O B:GLN172 4.7 17.1 1.0 O B:HOH444 4.7 43.0 1.0 CA B:HIS177 4.8 13.4 1.0 CZ3 B:TRP169 4.9 18.4 1.0 C B:GLN172 4.9 15.8 1.0

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