Magnesium in PDB 6fir: Human Cytosolic 5'-Nucleotidase II Soaked with 5MM3-Phenyl-N-(9H- Purin-6-Yl)Benzamide

All present enzymatic activity of Human Cytosolic 5'-Nucleotidase II Soaked with 5MM3-Phenyl-N-(9H- Purin-6-Yl)Benzamide:
3.1.3.5;

The structure of Human Cytosolic 5'-Nucleotidase II Soaked with 5MM3-Phenyl-N-(9H- Purin-6-Yl)Benzamide, PDB code: 6fir was solved by N.Aghajari, P.Preeti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.00 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.930, 127.680, 130.690, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 23.4

The binding sites of Magnesium atom in the Human Cytosolic 5'-Nucleotidase II Soaked with 5MM3-Phenyl-N-(9H- Purin-6-Yl)Benzamide (pdb code 6fir). 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 Soaked with 5MM3-Phenyl-N-(9H- Purin-6-Yl)Benzamide, PDB code: 6fir:

Magnesium binding site 1 out of 1 in the Human Cytosolic 5'-Nucleotidase II Soaked with 5MM3-Phenyl-N-(9H- Purin-6-Yl)Benzamide


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 Soaked with 5MM3-Phenyl-N-(9H- Purin-6-Yl)Benzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:39.0 occ:1.00 O A:HOH712 2.0 40.7 1.0 OD1 A:ASP351 2.1 36.2 1.0 OD2 A:ASP52 2.1 39.0 1.0 O A:HOH722 2.2 34.6 1.0 O A:ASP54 2.2 34.4 1.0 O A:HOH702 2.2 38.6 1.0 CG A:ASP351 3.0 43.6 1.0 CG A:ASP52 3.0 46.9 1.0 OD2 A:ASP351 3.3 45.2 1.0 C A:ASP54 3.4 44.3 1.0 OD1 A:ASP52 3.5 58.8 1.0 O4 A:SO4602 4.0 67.7 1.0 O2 A:SO4602 4.0 63.5 1.0 N A:ASP54 4.0 38.4 1.0 OD2 A:ASP356 4.0 48.9 1.0 CA A:ASP54 4.1 39.6 1.0 OG1 A:THR56 4.1 41.7 1.0 O1 A:SO4602 4.2 53.8 1.0 CB A:ASP54 4.2 38.6 1.0 CB A:ASP52 4.3 40.5 1.0 S A:SO4602 4.3 61.9 1.0 CB A:ASP351 4.4 35.2 1.0 N A:TYR55 4.4 42.2 1.0 CB A:TYR55 4.5 31.4 1.0 N A:ASP351 4.6 32.4 1.0 C A:MET53 4.8 44.2 1.0 CA A:TYR55 4.8 39.1 1.0 C A:TYR55 4.8 41.1 1.0 N A:HIS352 4.9 36.1 1.0 N A:THR56 4.9 40.3 1.0 CA A:ASP351 5.0 36.9 1.0

R.Guillon, R.Rahimova, D.Egron, S.Rouanet, C.Dumontet, N.Aghajari, L.P.Jordheim, L.Chaloin, S.Peyrottes. Lead Optimization and Biological Evaluation of Fragment-Based Cn-II Inhibitors. Eur J Med Chem V. 168 28 2019.
ISSN: ISSN 1768-3254
PubMed: 30798051
DOI: 10.1016/J.EJMECH.2019.02.040