Zinc in PDB 3nhp: 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: 3nhp 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 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.426, 83.479, 106.461, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 26.4

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 3nhp). 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: 3nhp:
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:26.5 occ:1.00 ND1 A:HIS177 2.0 26.9 1.0 ND1 A:HIS173 2.0 23.8 1.0 O A:CYS222 2.1 27.0 1.0 SG A:CYS222 2.3 29.6 1.0 CB A:CYS222 2.9 28.2 1.0 C A:CYS222 2.9 28.7 1.0 CG A:HIS177 2.9 25.1 1.0 CE1 A:HIS173 2.9 24.7 1.0 CE1 A:HIS177 3.1 26.2 1.0 CG A:HIS173 3.1 23.5 1.0 CB A:HIS177 3.2 21.9 1.0 CA A:CYS222 3.4 29.9 1.0 CB A:HIS173 3.5 19.8 1.0 CA A:HIS173 3.7 20.6 1.0 N A:THR223 4.0 30.0 1.0 NE2 A:HIS173 4.1 27.9 1.0 CD2 A:HIS177 4.1 29.0 1.0 NE2 A:HIS177 4.1 28.1 1.0 CD2 A:HIS173 4.2 22.4 1.0 CA A:THR223 4.5 30.2 1.0 O A:HIS173 4.6 21.2 1.0 C A:HIS173 4.6 19.5 1.0 N A:CYS222 4.6 30.2 1.0 N A:HIS173 4.7 19.6 1.0 CA A:HIS177 4.7 20.4 1.0 O A:GLN172 4.8 21.3 1.0 CD1 A:TYR132 4.9 24.8 1.0 CE1 A:TYR132 4.9 26.2 1.0 CE1 A:HIS227 5.0 30.4 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:17.7 occ:1.00 ND1 B:HIS177 2.1 19.4 1.0 O B:CYS222 2.1 16.5 1.0 ND1 B:HIS173 2.1 15.6 1.0 SG B:CYS222 2.2 19.8 1.0 CB B:CYS222 2.8 19.6 1.0 C B:CYS222 2.9 20.0 1.0 CG B:HIS177 3.0 16.6 1.0 CE1 B:HIS177 3.1 16.2 1.0 CE1 B:HIS173 3.1 17.9 1.0 CG B:HIS173 3.1 13.2 1.0 CB B:HIS177 3.3 12.3 1.0 CA B:CYS222 3.4 19.4 1.0 CB B:HIS173 3.4 12.0 1.0 CA B:HIS173 3.6 13.1 1.0 N B:THR223 4.0 19.6 1.0 CD2 B:HIS177 4.2 18.1 1.0 NE2 B:HIS177 4.2 19.8 1.0 NE2 B:HIS173 4.2 18.5 1.0 CD2 B:HIS173 4.3 14.0 1.0 N B:CYS222 4.5 19.9 1.0 N B:HIS173 4.5 12.3 1.0 O B:HIS173 4.6 13.9 1.0 C B:HIS173 4.6 12.4 1.0 CA B:THR223 4.6 19.9 1.0 O B:GLN172 4.6 12.9 1.0 CA B:HIS177 4.8 12.3 1.0 C B:GLN172 4.9 12.6 1.0 CZ3 B:TRP169 4.9 18.0 1.0 CE1 B:HIS227 5.0 17.4 1.0

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