Zinc in PDB 3nhs: 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: 3nhs 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 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.356, 84.049, 106.734, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.6

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 3nhs). 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: 3nhs:
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:40.0 occ:1.00 ND1 A:HIS177 2.0 35.0 1.0 O A:CYS222 2.2 44.6 1.0 ND1 A:HIS173 2.2 29.2 1.0 SG A:CYS222 2.3 40.2 1.0 CB A:CYS222 2.8 43.1 1.0 C A:CYS222 2.8 43.8 1.0 CG A:HIS177 2.9 32.6 1.0 CE1 A:HIS177 3.0 36.1 1.0 CG A:HIS173 3.1 28.3 1.0 CE1 A:HIS173 3.2 32.7 1.0 CB A:HIS177 3.3 27.7 1.0 CA A:CYS222 3.3 43.9 1.0 CB A:HIS173 3.3 26.7 1.0 CA A:HIS173 3.7 26.6 1.0 N A:THR223 3.8 43.9 1.0 NE2 A:HIS177 4.0 40.0 1.0 CD2 A:HIS177 4.1 37.0 1.0 CD2 A:HIS173 4.2 28.6 1.0 NE2 A:HIS173 4.3 31.6 1.0 CA A:THR223 4.5 43.5 1.0 N A:CYS222 4.5 44.0 1.0 C A:HIS173 4.6 25.1 1.0 O A:HIS173 4.6 26.5 1.0 O A:GLN172 4.6 30.3 1.0 N A:HIS173 4.7 26.8 1.0 CA A:HIS177 4.8 27.6 1.0 CE1 A:HIS227 4.9 49.0 1.0 O A:HOH321 4.9 48.8 1.0 C A:GLN172 5.0 27.9 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:27.5 occ:1.00 ND1 B:HIS177 2.1 25.8 1.0 ND1 B:HIS173 2.1 28.1 1.0 O B:CYS222 2.1 28.5 1.0 SG B:CYS222 2.4 28.1 1.0 CB B:CYS222 2.9 28.5 1.0 C B:CYS222 2.9 27.8 1.0 CE1 B:HIS173 3.0 27.6 1.0 CG B:HIS177 3.0 22.5 1.0 CE1 B:HIS177 3.1 26.1 1.0 CG B:HIS173 3.1 25.1 1.0 CB B:HIS177 3.3 17.2 1.0 CB B:HIS173 3.4 18.5 1.0 CA B:CYS222 3.5 27.6 1.0 CA B:HIS173 3.6 20.6 1.0 N B:THR223 4.1 27.8 1.0 NE2 B:HIS173 4.1 27.8 1.0 NE2 B:HIS177 4.2 28.3 1.0 CD2 B:HIS177 4.2 27.0 1.0 CD2 B:HIS173 4.2 25.1 1.0 N B:CYS222 4.6 28.9 1.0 N B:HIS173 4.6 19.6 1.0 C B:HIS173 4.6 18.8 1.0 O B:GLN172 4.7 19.5 1.0 CA B:THR223 4.7 27.2 1.0 O B:HIS173 4.7 21.3 1.0 CA B:HIS177 4.8 18.8 1.0 CZ3 B:TRP169 5.0 28.8 1.0 C B:GLN172 5.0 20.9 1.0 O B:HOH370 5.0 43.6 1.0

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