Magnesium in PDB 9fb8: Xchem Refined PIF1-X0076 Complex

All present enzymatic activity of Xchem Refined PIF1-X0076 Complex:
3.6.4.12;

The structure of Xchem Refined PIF1-X0076 Complex, PDB code: 9fb8 was solved by B.D.Bax, A.A.Antson, C.M.Sanders, J.Brandao-Neto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.83 / 1.73
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.6, 143.714, 77.238, 90, 90, 90
R / Rfree (%)	17.3 / 21.1

The binding sites of Magnesium atom in the Xchem Refined PIF1-X0076 Complex (pdb code 9fb8). 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 Xchem Refined PIF1-X0076 Complex, PDB code: 9fb8:

Magnesium binding site 1 out of 1 in the Xchem Refined PIF1-X0076 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Xchem Refined PIF1-X0076 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:21.4 occ:1.00 O1G A:ANP801 2.0 19.4 1.0 O A:HOH1062 2.1 20.4 1.0 O1B A:ANP801 2.1 19.1 1.0 OG A:SER235 2.2 19.1 1.0 O A:HOH1080 2.2 19.5 1.0 O A:HOH942 2.2 19.8 1.0 CB A:SER235 3.2 19.8 1.0 PB A:ANP801 3.2 20.0 1.0 PG A:ANP801 3.3 21.1 1.0 N3B A:ANP801 3.4 19.0 1.0 N A:SER235 4.0 19.3 1.0 OE2 A:GLU307 4.0 23.6 1.0 O3G A:ANP801 4.0 20.8 1.0 OD2 A:ASP306 4.1 22.4 1.0 CA A:GLY559 4.1 22.8 1.0 CA A:SER235 4.2 18.2 1.0 O A:HOH1057 4.2 28.9 1.0 O A:HOH1098 4.2 20.0 1.0 O1A A:ANP801 4.2 22.5 1.0 O3A A:ANP801 4.3 19.8 1.0 O2B A:ANP801 4.3 18.3 1.0 OD1 A:ASP306 4.3 20.8 1.0 O2G A:ANP801 4.4 21.6 1.0 O A:GLY559 4.4 24.8 1.0 PA A:ANP801 4.6 20.7 1.0 O2A A:ANP801 4.6 22.5 1.0 CG A:ASP306 4.7 22.4 1.0 CD A:GLU307 4.7 24.2 1.0 C A:GLY559 4.8 22.7 1.0 CB A:LYS234 4.8 18.8 1.0

C.M.Sanders, B.D.Bax. Structure-Based Discovery of First on-Target Inhibitors of the Human PIF1 Helicase To Be Published.