Magnesium in PDB 5cuu: Crystal Structure of Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260

The structure of Crystal Structure of Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260, PDB code: 5cuu was solved by W.D.Liu, Y.Y.Yang, T.P.Ko, Y.Y.Zheng, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.96
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.775, 102.630, 158.834, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 27.4

The binding sites of Magnesium atom in the Crystal Structure of Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260 (pdb code 5cuu). 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 Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260, PDB code: 5cuu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260


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 Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg904 b:95.2 occ:1.00 OAB A:4GA903 2.8 0.0 1.0 CAM A:4GA903 3.1 0.4 1.0 OAF A:4GA903 3.2 0.9 1.0 CAK A:4GA903 3.6 0.1 1.0 PAS A:4GA903 3.6 0.1 1.0 OD2 A:ASP324 3.7 77.4 1.0 OD1 A:ASP324 3.9 78.8 1.0 NZ A:LYS369 4.0 62.7 1.0 CAL A:4GA903 4.1 0.2 1.0 NAP A:4GA903 4.1 0.9 1.0 CE A:LYS369 4.2 56.0 1.0 CAN A:4GA903 4.2 0.3 1.0 CG A:ASP324 4.2 77.1 1.0 CAA A:4GA903 4.3 0.9 1.0 OAE A:4GA903 4.5 0.6 1.0 NAQ A:4GA903 4.5 0.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260


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 Trypanosoma Cruzi Vacuolar Soluble Pyrophosphatases in Complex with Bisphosphonate Inhibitor Bph-1260 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg903 b:79.9 occ:1.00 OAD B:4GA902 2.8 0.8 1.0 CAI B:4GA902 2.9 0.7 1.0 CAJ B:4GA902 3.2 0.8 1.0 NAP B:4GA902 3.4 0.5 1.0 NAQ B:4GA902 3.8 0.1 1.0 CAN B:4GA902 3.8 1.0 1.0 CAK B:4GA902 3.9 0.8 1.0 OD1 B:ASP252 4.1 75.9 1.0 CAR B:4GA902 4.2 0.4 1.0 OD2 B:ASP252 4.5 75.9 1.0 CAO B:4GA902 4.6 0.3 1.0 CG B:ASP252 4.7 73.0 1.0 OAG B:4GA902 4.8 0.4 1.0

Y.Y.Yang, T.P.Ko, Y.Y.Zheng, W.D.Liu, C.C.Chen, R.T.Guo. Crystal Structure of Trypanosoma Cruzi Protein in Complex with Ligand Acs Chem.Biol. 2016.
ISSN: ESSN 1554-8937