Zinc in PDB 1sg0: Crystal Structure Analysis of QR2 in Complex with Resveratrol

All present enzymatic activity of Crystal Structure Analysis of QR2 in Complex with Resveratrol:
1.6.99.2;

The structure of Crystal Structure Analysis of QR2 in Complex with Resveratrol, PDB code: 1sg0 was solved by L.Buryanovskyy, Y.Fu, M.Boyd, Y.Ma, T.C.Tsieh, J.M.Wu, Z.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.43 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.330, 106.372, 56.982, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 23.4

The binding sites of Zinc atom in the Crystal Structure Analysis of QR2 in Complex with Resveratrol (pdb code 1sg0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure Analysis of QR2 in Complex with Resveratrol, PDB code: 1sg0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure Analysis of QR2 in Complex with Resveratrol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure Analysis of QR2 in Complex with Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn231 b:15.9 occ:1.00 ND1 A:HIS173 2.1 14.1 1.0 ND1 A:HIS177 2.1 18.0 1.0 O A:CYS222 2.2 15.1 1.0 SG A:CYS222 2.3 16.6 1.0 CB A:CYS222 2.8 17.6 1.0 C A:CYS222 3.0 18.2 1.0 CG A:HIS177 3.0 14.7 1.0 CE1 A:HIS173 3.1 13.9 1.0 CG A:HIS173 3.2 12.9 1.0 CE1 A:HIS177 3.2 16.3 1.0 CB A:HIS177 3.3 14.7 1.0 CA A:CYS222 3.5 19.3 1.0 CB A:HIS173 3.5 11.8 1.0 CA A:HIS173 3.7 10.7 1.0 N A:THR223 4.1 19.2 1.0 NE2 A:HIS173 4.2 14.8 1.0 CD2 A:HIS177 4.2 16.5 1.0 NE2 A:HIS177 4.2 16.6 1.0 CD2 A:HIS173 4.3 12.6 1.0 N A:HIS173 4.6 10.8 1.0 CA A:THR223 4.6 20.2 1.0 O A:GLN172 4.6 11.7 1.0 N A:CYS222 4.6 21.1 1.0 C A:HIS173 4.6 11.5 1.0 O A:HIS173 4.7 12.2 1.0 CA A:HIS177 4.8 14.2 1.0 C A:GLN172 4.9 10.7 1.0 CE1 A:TYR132 4.9 14.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure Analysis of QR2 in Complex with Resveratrol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure Analysis of QR2 in Complex with Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn232 b:13.3 occ:1.00 O B:CYS222 2.1 12.9 1.0 ND1 B:HIS173 2.1 12.6 1.0 ND1 B:HIS177 2.2 15.9 1.0 SG B:CYS222 2.3 13.2 1.0 CB B:CYS222 2.8 12.1 1.0 C B:CYS222 3.0 14.0 1.0 CE1 B:HIS173 3.1 12.9 1.0 CG B:HIS177 3.1 12.4 1.0 CG B:HIS173 3.1 11.1 1.0 CE1 B:HIS177 3.3 13.9 1.0 CB B:HIS177 3.3 10.4 1.0 CA B:CYS222 3.4 14.3 1.0 CB B:HIS173 3.5 10.1 1.0 CA B:HIS173 3.6 9.3 1.0 N B:THR223 4.1 14.6 1.0 NE2 B:HIS173 4.2 12.7 1.0 CD2 B:HIS173 4.3 11.2 1.0 CD2 B:HIS177 4.3 13.0 1.0 NE2 B:HIS177 4.3 14.5 1.0 N B:HIS173 4.5 10.3 1.0 CA B:THR223 4.6 14.7 1.0 O B:GLN172 4.6 10.1 1.0 C B:HIS173 4.6 10.0 1.0 N B:CYS222 4.6 15.6 1.0 O B:HIS173 4.6 10.7 1.0 CA B:HIS177 4.9 9.6 1.0 C B:GLN172 4.9 9.4 1.0 CZ3 B:TRP169 5.0 13.8 1.0

L.Buryanovskyy, Y.Fu, M.Boyd, Y.Ma, T.C.Hsieh, J.M.Wu, Z.Zhang. Crystal Structure of Quinone Reductase 2 in Complex with Resveratrol Biochemistry V. 43 11417 2004.
ISSN: ISSN 0006-2960
PubMed: 15350128
DOI: 10.1021/BI049162O