Magnesium in PDB 7zee: Human Cytosolic 5' Nucleotidase Iiib

All present enzymatic activity of Human Cytosolic 5' Nucleotidase Iiib:
3.1.3.5; 3.1.3.91;

The structure of Human Cytosolic 5' Nucleotidase Iiib, PDB code: 7zee was solved by D.Kubacka, M.Kozarski, M.R.Baranowski, R.Wojcik, J.Jemielity, J.Kowalska, J.Basquin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.24 / 1.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.715, 79.288, 87.295, 90, 90, 90
R / Rfree (%)	15.9 / 19.7

The binding sites of Magnesium atom in the Human Cytosolic 5' Nucleotidase Iiib (pdb code 7zee). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Human Cytosolic 5' Nucleotidase Iiib, PDB code: 7zee:

Magnesium binding site 1 out of 1 in the Human Cytosolic 5' Nucleotidase Iiib


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Cytosolic 5' Nucleotidase Iiib within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:15.7 occ:1.00 OD2 A:ASP41 2.0 16.1 1.0 O A:HOH561 2.1 17.7 1.0 OD1 A:ASP230 2.1 18.5 1.0 O A:HOH534 2.1 18.4 1.0 O A:ASP43 2.1 17.0 1.0 O A:HOH662 2.1 19.9 1.0 CG A:ASP41 3.0 15.9 1.0 CG A:ASP230 3.1 18.2 1.0 C A:ASP43 3.3 16.2 1.0 OD2 A:ASP230 3.4 20.4 1.0 OD1 A:ASP41 3.5 16.8 1.0 O A:HOH751 4.0 44.7 1.0 N A:ASP43 4.1 15.5 1.0 CA A:ASP43 4.1 16.4 1.0 OD2 A:ASP234 4.1 16.5 1.0 OG1 A:THR45 4.1 16.1 1.0 CB A:ASP43 4.3 18.7 1.0 CB A:ASP41 4.3 16.1 1.0 N A:MET44 4.3 16.2 1.0 O A:HOH527 4.4 35.1 1.0 O A:HOH725 4.4 51.3 1.0 CB A:MET44 4.4 18.8 1.0 CB A:ASP230 4.4 17.2 1.0 OG A:SER231 4.5 18.9 0.2 N A:THR45 4.5 16.1 1.0 CA A:MET44 4.6 16.5 1.0 C A:MET44 4.6 17.0 1.0 C A:PHE42 4.7 15.2 1.0 O A:HOH612 4.8 26.5 1.0 N A:ASP230 4.9 16.0 1.0 CB A:THR45 4.9 15.7 1.0 NZ A:LYS205 4.9 20.5 1.0

D.Kubacka, M.Kozarski, M.R.Baranowski, R.Wojcik, J.Panecka-Hofman, D.Strzelecka, J.Basquin, J.Jemielity, J.Kowalska. Substrate-Based Design of Cytosolic Nucleotidase Iiib Inhibitors and Structural Insights Into Inhibition Mechanism. Pharmaceuticals V. 15 2022.
ISSN: ESSN 1424-8247
PubMed: 35631380
DOI: 10.3390/PH15050554