Magnesium in PDB 2rah: Human Fdps Synthase in Complex with Novel Inhibitor

All present enzymatic activity of Human Fdps Synthase in Complex with Novel Inhibitor:
2.5.1.1; 2.5.1.10;

The structure of Human Fdps Synthase in Complex with Novel Inhibitor, PDB code: 2rah was solved by A.G.Evdokimov, B.L.Barnett, F.H.Ebetino, M.Pokross, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.20 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.171, 111.171, 70.440, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.8

The binding sites of Magnesium atom in the Human Fdps Synthase in Complex with Novel Inhibitor (pdb code 2rah). 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 Fdps Synthase in Complex with Novel Inhibitor, PDB code: 2rah:

Magnesium binding site 1 out of 1 in the Human Fdps Synthase in Complex with Novel Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Fdps Synthase in Complex with Novel Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg354 b:35.7 occ:1.00 O A:HOH468 2.0 33.7 1.0 O8 A:11P356 2.0 38.7 1.0 O7 A:11P356 2.1 36.6 1.0 O A:HOH365 2.1 41.7 1.0 OD2 A:ASP243 2.1 40.6 1.0 O A:HOH364 2.2 37.2 1.0 CG A:ASP243 3.2 39.5 1.0 P1 A:11P356 3.4 40.3 1.0 P4 A:11P356 3.4 43.5 1.0 O2 A:11P356 3.6 43.7 1.0 OD1 A:ASP243 3.6 40.8 1.0 C1 A:11P356 3.7 40.0 1.0 OD1 A:ASP247 3.9 41.9 1.0 O6 A:11P356 4.1 47.8 1.0 O9 A:11P356 4.1 40.0 1.0 O A:ASP243 4.2 34.4 1.0 NE2 A:GLN240 4.2 31.6 1.0 OD1 A:ASP261 4.4 39.5 1.0 OD2 A:ASP261 4.4 36.9 1.0 CE A:LYS257 4.5 57.3 1.0 C A:ASP243 4.5 34.5 1.0 O5 A:11P356 4.5 40.9 1.0 OD1 A:ASP244 4.5 28.4 1.0 CB A:ASP243 4.5 38.8 1.0 O10 A:11P356 4.5 34.8 1.0 CG A:ASP247 4.6 40.9 1.0 CB A:ASP247 4.7 39.8 1.0 NZ A:LYS257 4.8 57.6 1.0 CG A:ASP261 4.8 44.2 1.0 N A:ASP244 4.9 31.6 1.0

A.G.Evdokimov, B.L.Barnett, F.H.Ebetino, M.Pokross. Human Fdps Synthase in Complex with Novel Inhibitor To Be Published.