Magnesium in PDB 7btn: Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions

All present enzymatic activity of Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions:
3.6.1.1;

The structure of Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions, PDB code: 7btn was solved by F.Hu, Z.Huang, L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 2.38
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	84.406, 89.517, 95.237, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21

The binding sites of Magnesium atom in the Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions (pdb code 7btn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions, PDB code: 7btn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:30.0 occ:1.00 OD2 A:ASP116 2.0 57.3 1.0 OD1 A:ASP118 2.3 51.5 1.0 O A:PRO119 2.4 35.6 1.0 OE2 A:GLU102 2.5 41.9 1.0 CG A:ASP116 2.8 60.3 1.0 OD1 A:ASP121 2.9 38.2 1.0 OD1 A:ASP116 2.9 55.5 1.0 O A:ASP118 3.1 37.7 1.0 C A:PRO119 3.2 31.9 1.0 MG A:MG302 3.2 30.0 1.0 CD A:GLU102 3.2 44.9 1.0 CG A:ASP118 3.4 47.8 1.0 CA A:ILE120 3.5 29.5 1.0 CG A:ASP121 3.5 35.3 1.0 CG A:GLU102 3.5 41.5 1.0 O A:HOH401 3.6 34.0 1.0 C A:ASP118 3.6 37.2 1.0 N A:ILE120 3.7 27.6 1.0 N A:ASP121 3.7 27.4 1.0 OD2 A:ASP121 3.8 36.9 1.0 C A:ILE120 3.9 26.0 1.0 OE1 A:GLU102 4.1 53.2 1.0 OD2 A:ASP118 4.2 54.5 1.0 N A:PRO119 4.2 32.7 1.0 CB A:GLU102 4.2 41.6 1.0 CA A:PRO119 4.2 32.5 1.0 CB A:ASP116 4.3 59.7 1.0 CA A:ASP118 4.4 44.2 1.0 CB A:ASP118 4.4 39.2 1.0 N A:ASP118 4.5 47.3 1.0 CB A:ASP121 4.6 33.4 1.0 CA A:ASP121 4.6 26.7 1.0 CB A:ILE120 4.8 32.0 1.0 O A:ILE120 4.9 29.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Inorganic Pyrophosphatase with Metal Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:30.0 occ:1.00 OD1 A:ASP121 2.5 38.2 1.0 OD2 A:ASP121 2.7 36.9 1.0 O A:HOH442 2.7 37.6 1.0 OD1 A:ASP118 2.9 51.5 1.0 OD2 A:ASP116 2.9 57.3 1.0 CG A:ASP121 2.9 35.3 1.0 MG A:MG301 3.2 30.0 1.0 OD2 A:ASP118 3.2 54.5 1.0 CG A:ASP118 3.4 47.8 1.0 CG A:ASP116 3.8 60.3 1.0 O A:HOH401 4.1 34.0 1.0 OH A:TYR94 4.4 33.6 1.0 O A:HOH421 4.4 29.0 1.0 CB A:ASP116 4.4 59.7 1.0 CB A:ASP121 4.4 33.4 1.0 O A:PRO119 4.4 35.6 1.0 NZ A:LYS155 4.5 32.0 1.0 OD1 A:ASP116 4.6 55.5 1.0 OE2 A:GLU102 4.8 41.9 1.0 CB A:ASP118 4.9 39.2 1.0

F.Hu, Z.Huang, S.Zheng, Q.Wu, Y.Chen, H.Lin, W.Huang, L.Li. Structural and Biochemical Characterization of Inorganic Pyrophosphatase From Homo Sapiens. Biochem.Biophys.Res.Commun. 2020.
ISSN: ESSN 1090-2104
PubMed: 33036755
DOI: 10.1016/J.BBRC.2020.09.139