Magnesium in PDB 3s4j: Human Fdps Synthase in Complex with A Rigid Analog of Risedronate

All present enzymatic activity of Human Fdps Synthase in Complex with A Rigid Analog of Risedronate:
2.5.1.1; 2.5.1.10;

The structure of Human Fdps Synthase in Complex with A Rigid Analog of Risedronate, PDB code: 3s4j 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)	33.20 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.198, 111.198, 69.598, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.1

The binding sites of Magnesium atom in the Human Fdps Synthase in Complex with A Rigid Analog of Risedronate (pdb code 3s4j). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Human Fdps Synthase in Complex with A Rigid Analog of Risedronate, PDB code: 3s4j:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Human Fdps Synthase in Complex with A Rigid Analog of Risedronate


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 A Rigid Analog of Risedronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg907 b:28.4 occ:1.00 O22 A:UNV901 2.0 27.1 1.0 OD2 A:ASP103 2.1 29.6 1.0 O A:HOH513 2.1 27.4 1.0 O A:HOH381 2.1 32.8 1.0 O18 A:UNV901 2.1 29.2 1.0 OD2 A:ASP107 2.3 31.3 1.0 CG A:ASP103 3.1 29.7 1.0 MG A:MG909 3.1 30.8 1.0 P17 A:UNV901 3.2 29.8 1.0 CG A:ASP107 3.3 33.3 1.0 P11 A:UNV901 3.3 29.6 1.0 OD1 A:ASP103 3.3 27.9 1.0 C14 A:UNV901 3.6 25.1 1.0 C7 A:UNV901 3.7 28.4 1.0 CB A:ASP107 3.7 28.2 1.0 O A:HOH371 3.9 31.9 1.0 O23 A:UNV901 3.9 31.2 1.0 O20 A:UNV901 4.1 30.3 1.0 O A:HOH372 4.2 26.9 1.0 O A:HOH514 4.3 28.3 1.0 NH2 A:ARG112 4.3 24.0 1.0 O A:HOH369 4.4 33.5 1.0 CB A:ASP103 4.4 27.1 1.0 OD1 A:ASP107 4.4 29.8 1.0 O21 A:UNV901 4.4 34.0 1.0 O A:ASP103 4.4 25.1 1.0 OG A:SER109 4.5 31.8 1.0 O19 A:UNV901 4.5 29.8 1.0 OD1 A:ASP104 4.6 26.8 1.0 C A:ASP103 4.7 25.0 1.0 O A:HOH512 4.8 26.5 1.0 O A:HOH365 4.8 31.4 1.0 MG A:MG908 4.9 29.9 1.0 O A:HOH518 4.9 30.1 1.0

Magnesium binding site 2 out of 3 in the Human Fdps Synthase in Complex with A Rigid Analog of Risedronate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Fdps Synthase in Complex with A Rigid Analog of Risedronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg908 b:29.9 occ:1.00 O20 A:UNV901 1.9 30.3 1.0 O A:HOH510 2.0 29.7 1.0 O23 A:UNV901 2.0 31.2 1.0 OD2 A:ASP243 2.2 27.0 1.0 O A:HOH514 2.2 28.3 1.0 O A:HOH517 2.3 28.2 1.0 CG A:ASP243 3.2 34.7 1.0 P11 A:UNV901 3.3 29.6 1.0 P17 A:UNV901 3.4 29.8 1.0 OD1 A:ASP243 3.6 33.1 1.0 C14 A:UNV901 3.7 25.1 1.0 OD1 A:ASP247 3.9 35.6 1.0 C10 A:UNV901 3.9 28.1 1.0 O A:HOH385 3.9 32.1 1.0 O18 A:UNV901 4.1 29.2 1.0 NE2 A:GLN240 4.2 31.8 1.0 O22 A:UNV901 4.2 27.1 1.0 O A:ASP243 4.2 29.1 1.0 O A:HOH381 4.3 32.8 1.0 OD2 A:ASP261 4.3 33.6 1.0 OD1 A:ASP261 4.3 35.8 1.0 O19 A:UNV901 4.4 29.8 1.0 OD1 A:ASP244 4.4 30.0 1.0 O21 A:UNV901 4.4 34.0 1.0 CB A:ASP243 4.5 30.0 1.0 NZ A:LYS257 4.5 54.9 1.0 CG A:ASP247 4.5 34.2 1.0 C A:ASP243 4.6 28.3 1.0 CE A:LYS257 4.7 41.5 1.0 CB A:ASP247 4.7 34.3 1.0 CG A:ASP261 4.8 33.4 1.0 O A:HOH371 4.8 31.9 1.0 MG A:MG907 4.9 28.4 1.0

Magnesium binding site 3 out of 3 in the Human Fdps Synthase in Complex with A Rigid Analog of Risedronate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Human Fdps Synthase in Complex with A Rigid Analog of Risedronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg909 b:30.8 occ:1.00 O A:HOH372 2.0 26.9 1.0 OD1 A:ASP103 2.0 27.9 1.0 OD2 A:ASP107 2.1 31.3 1.0 O22 A:UNV901 2.1 27.1 1.0 O A:HOH512 2.2 26.5 1.0 O A:HOH518 2.2 30.1 1.0 CG A:ASP103 3.0 29.7 1.0 CG A:ASP107 3.0 33.3 1.0 MG A:MG907 3.1 28.4 1.0 P17 A:UNV901 3.2 29.8 1.0 OD1 A:ASP107 3.3 29.8 1.0 OD2 A:ASP103 3.3 29.6 1.0 O21 A:UNV901 3.4 34.0 1.0 OD1 A:ASP174 4.2 41.7 1.0 C7 A:UNV901 4.2 28.4 1.0 O A:HOH381 4.2 32.8 1.0 OE1 A:GLN171 4.3 34.2 1.0 NE2 A:GLN171 4.3 31.9 1.0 OD2 A:ASP174 4.3 35.4 1.0 NZ A:LYS266 4.3 45.8 1.0 O23 A:UNV901 4.3 31.2 1.0 CB A:ASP103 4.4 27.1 1.0 O A:HOH385 4.4 32.1 1.0 C14 A:UNV901 4.4 25.1 1.0 CB A:ASP107 4.4 28.2 1.0 CG A:ASP174 4.5 35.2 1.0 CD A:GLN171 4.7 34.1 1.0 O18 A:UNV901 4.8 29.2 1.0 NZ A:LYS200 4.8 38.4 1.0 O A:HOH513 4.8 27.4 1.0 C3 A:UNV901 4.8 28.7 1.0 O A:ASP103 4.9 25.1 1.0 CE A:LYS266 4.9 38.6 1.0

A.G.Evdokimov, B.L.Barnett, F.H.Ebetino, M.Pokross. Human Fdps Synthase in Complex with A Rigid Analog of Risedronate To Be Published.