Magnesium in PDB 6hpu: Crystal Structure of Human PIF1 Helicase in Complex with Adp-ALF4

All present enzymatic activity of Crystal Structure of Human PIF1 Helicase in Complex with Adp-ALF4:
3.6.4.12;

The structure of Crystal Structure of Human PIF1 Helicase in Complex with Adp-ALF4, PDB code: 6hpu was solved by V.M.Levdikov, S.Dehghani-Tafti, B.D.Bax, C.M.Sanders, A.A.Antson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.03 / 3.96
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	209.850, 209.850, 78.885, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 25.3

The structure of Crystal Structure of Human PIF1 Helicase in Complex with Adp-ALF4 also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Aluminium	(Al)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human PIF1 Helicase in Complex with Adp-ALF4 (pdb code 6hpu). 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 Human PIF1 Helicase in Complex with Adp-ALF4, PDB code: 6hpu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human PIF1 Helicase in Complex with Adp-ALF4


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 Human PIF1 Helicase in Complex with Adp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg803 b:0.8 occ:1.00 OG A:SER235 2.1 0.7 1.0 F3 A:ALF802 2.2 0.9 1.0 O3B A:ADP801 2.3 0.5 1.0 CB A:SER235 3.0 0.5 1.0 O A:GLY559 3.0 0.1 1.0 OE2 A:GLU307 3.2 0.3 1.0 F1 A:ALF802 3.5 0.4 1.0 OD2 A:ASP306 3.5 0.3 1.0 CA A:GLY559 3.5 0.1 1.0 PB A:ADP801 3.5 0.1 1.0 C A:GLY559 3.6 0.6 1.0 AL A:ALF802 3.6 0.6 1.0 O1B A:ADP801 3.7 0.5 1.0 CA A:SER235 3.9 0.4 1.0 N A:SER235 4.0 0.8 1.0 OD1 A:ASP306 4.1 0.1 1.0 O1A A:ADP801 4.1 0.2 1.0 CG A:ASP306 4.2 0.0 1.0 CD A:GLU307 4.3 0.5 1.0 O2A A:ADP801 4.5 0.1 1.0 O3A A:ADP801 4.5 0.6 1.0 PA A:ADP801 4.5 0.4 1.0 F2 A:ALF802 4.6 0.2 1.0 N A:GLY559 4.6 0.9 1.0 O2B A:ADP801 4.7 0.1 1.0 N A:MET560 4.8 0.4 1.0 CG A:GLU307 5.0 0.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human PIF1 Helicase in Complex with Adp-ALF4


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 Human PIF1 Helicase in Complex with Adp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg803 b:58.4 occ:1.00 OG B:SER235 1.7 0.3 1.0 F3 B:ALF802 2.1 0.6 1.0 O2B B:ADP801 2.1 0.3 1.0 CB B:SER235 2.7 0.3 1.0 OE2 B:GLU307 3.1 0.6 1.0 OD2 B:ASP306 3.3 92.4 1.0 PB B:ADP801 3.4 0.6 1.0 O B:GLY559 3.5 0.9 1.0 F1 B:ALF802 3.6 79.1 1.0 AL B:ALF802 3.6 99.8 1.0 O3B B:ADP801 3.7 0.6 1.0 CA B:SER235 3.7 0.1 1.0 N B:SER235 3.7 0.7 1.0 CA B:GLY559 3.8 0.6 1.0 OD1 B:ASP306 3.9 91.2 1.0 CD B:GLU307 4.0 0.5 1.0 CG B:ASP306 4.0 0.7 1.0 C B:GLY559 4.0 0.4 1.0 O1A B:ADP801 4.2 0.5 1.0 F2 B:ALF802 4.4 0.2 1.0 O3A B:ADP801 4.4 0.5 1.0 O1B B:ADP801 4.5 0.5 1.0 O2A B:ADP801 4.5 0.8 1.0 NZ B:LYS234 4.6 0.0 1.0 PA B:ADP801 4.6 0.6 1.0 CG B:GLU307 4.7 0.3 1.0 OE1 B:GLU307 4.7 0.6 1.0 N B:GLY559 4.9 0.1 1.0 CB B:LYS234 4.9 0.8 1.0 C B:LYS234 4.9 0.6 1.0

S.Dehghani-Tafti, V.Levdikov, A.A.Antson, B.Bax, C.M.Sanders. Structural and Functional Analysis of the Nucleotide and Dna Binding Activities of the Human PIF1 Helicase. Nucleic Acids Res. V. 47 3208 2019.
ISSN: ESSN 1362-4962
PubMed: 30698796
DOI: 10.1093/NAR/GKZ028