Magnesium in PDB 9fi9: Human Pif + Z48847594 (Occupancy 0.7)

All present enzymatic activity of Human Pif + Z48847594 (Occupancy 0.7):
3.6.4.12;

The structure of Human Pif + Z48847594 (Occupancy 0.7), PDB code: 9fi9 was solved by B.D.Bax, C.M.Sanders, A.A.Antson, J.Brandao-Neto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.85 / 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 (%)	15.5 / 19.4

The structure of Human Pif + Z48847594 (Occupancy 0.7) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Human Pif + Z48847594 (Occupancy 0.7) (pdb code 9fi9). 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 Pif + Z48847594 (Occupancy 0.7), PDB code: 9fi9:

Magnesium binding site 1 out of 1 in the Human Pif + Z48847594 (Occupancy 0.7)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Pif + Z48847594 (Occupancy 0.7) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:21.5 occ:1.00 O2G A:ANP801 2.0 18.9 1.0 O A:HOH1112 2.1 20.1 1.0 O1B A:ANP801 2.2 19.4 1.0 OG A:SER235 2.2 18.8 1.0 O A:HOH1131 2.2 19.3 1.0 O A:HOH981 2.2 19.4 1.0 CB A:SER235 3.2 19.8 1.0 PG A:ANP801 3.3 21.0 1.0 PB A:ANP801 3.3 20.0 1.0 N3B A:ANP801 3.4 18.3 1.0 OE2 A:GLU307 3.9 23.5 1.0 N A:SER235 4.0 20.1 1.0 O3G A:ANP801 4.0 21.1 1.0 CA A:GLY559 4.1 22.6 1.0 OD2 A:ASP306 4.1 21.7 1.0 O A:HOH1359 4.1 50.2 1.0 CA A:SER235 4.2 18.8 1.0 O A:HOH1168 4.2 20.3 1.0 O A:HOH1125 4.2 28.8 1.0 O1A A:ANP801 4.2 22.9 1.0 O3A A:ANP801 4.3 19.2 1.0 O1G A:ANP801 4.3 21.0 1.0 OD1 A:ASP306 4.3 21.5 1.0 O2B A:ANP801 4.4 18.2 1.0 O A:GLY559 4.4 24.6 1.0 PA A:ANP801 4.6 20.7 1.0 O2A A:ANP801 4.6 22.9 1.0 CG A:ASP306 4.7 22.2 1.0 CD A:GLU307 4.7 24.8 1.0 C A:GLY559 4.8 23.2 1.0 CB A:LYS234 4.9 18.6 1.0

M.Wever, F.Scommegna, S.Egea Rodriguez, S.Dehghani-Tafti, J.Brandao-Neto, J.Poisson, I.Helfrich, A.Antson, V.Rodeschini, B.Bax, D.Roche, C.Sanders. Structure-Based Discovery of First Inhibitors Targeting the Helicase Activity of Human PIF1 Nucleic Acids Research 2024.