Magnesium in PDB 4h4b: Human Cytosolic 5'-Nucleotidase II in Complex with Anthraquinone-2,6- Disulfonic Acid

All present enzymatic activity of Human Cytosolic 5'-Nucleotidase II in Complex with Anthraquinone-2,6- Disulfonic Acid:
3.1.3.5;

The structure of Human Cytosolic 5'-Nucleotidase II in Complex with Anthraquinone-2,6- Disulfonic Acid, PDB code: 4h4b was solved by M.Rhimi, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.92 / 2.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.110, 126.830, 130.400, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 24.9

The binding sites of Magnesium atom in the Human Cytosolic 5'-Nucleotidase II in Complex with Anthraquinone-2,6- Disulfonic Acid (pdb code 4h4b). 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 II in Complex with Anthraquinone-2,6- Disulfonic Acid, PDB code: 4h4b:

Magnesium binding site 1 out of 1 in the Human Cytosolic 5'-Nucleotidase II in Complex with Anthraquinone-2,6- Disulfonic Acid


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 II in Complex with Anthraquinone-2,6- Disulfonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:10.2 occ:1.00 OD1 A:ASP351 1.8 14.6 1.0 O A:HOH712 2.0 7.4 1.0 O A:HOH757 2.0 2.0 1.0 OD2 A:ASP52 2.1 17.6 1.0 O A:HOH752 2.3 4.8 1.0 O A:ASP54 2.4 13.2 1.0 CG A:ASP351 2.9 15.2 1.0 CG A:ASP52 3.1 17.0 1.0 OD2 A:ASP351 3.3 17.6 1.0 O1 A:SO4605 3.4 26.1 1.0 C A:ASP54 3.6 13.3 1.0 OD1 A:ASP52 3.6 21.2 1.0 OD2 A:ASP356 3.8 22.9 1.0 OG1 A:THR56 3.9 15.1 1.0 CB A:ASP351 4.1 15.1 1.0 N A:ASP351 4.3 14.8 1.0 CB A:ASP52 4.3 15.3 1.0 O4 A:SO4605 4.3 26.1 1.0 CA A:ASP54 4.3 13.5 1.0 S A:SO4605 4.4 25.7 1.0 N A:ASP54 4.4 13.6 1.0 CB A:ASP54 4.5 13.6 1.0 N A:HIS352 4.5 14.7 1.0 CB A:TYR55 4.5 12.9 1.0 N A:TYR55 4.5 13.7 1.0 CA A:ASP351 4.6 15.4 1.0 C A:TYR55 4.7 14.6 1.0 N A:THR56 4.7 14.6 1.0 CA A:TYR55 4.8 13.8 1.0 O3 A:SO4605 4.8 26.6 1.0 C A:ASP351 4.8 15.2 1.0 CB A:HIS352 4.9 13.2 1.0 CG A:ASP356 5.0 18.9 1.0

L.P.Jordheim, Z.Marton, M.Rhimi, E.Cros-Perrial, C.Lionne, S.Peyrottes, C.Dumontet, N.Aghajari, L.Chaloin. Identification and Characterization of Inhibitors of Cytoplasmic 5'-Nucleotidase Cn-II Issued From Virtual Screening. Biochem Pharmacol V. 85 497 2013.
PubMed: 23220537
DOI: 10.1016/J.BCP.2012.11.024