Magnesium in PDB 6s3h: Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP

The structure of Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP, PDB code: 6s3h was solved by Y.X.Dai, W.F.Chen, F.Y.Teng, N.N.Liu, X.M.Hou, S.X.Dou, S.Rety, X.G.Xi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.51 / 2.06
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.682, 200.13, 53.955, 90, 93.44, 90
R / Rfree (%)	20.1 / 22.7

The structure of Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP 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 Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP (pdb code 6s3h). 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 Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP, PDB code: 6s3h:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP


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 Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1003 b:93.4 occ:1.00 F2 A:ALF1002 1.9 28.8 1.0 O2B A:ADP1001 2.1 18.9 1.0 O A:HOH1197 2.1 20.3 1.0 O A:HOH1170 2.2 20.9 1.0 O A:HOH1243 2.3 23.5 1.0 OG1 A:THR98 2.4 25.1 1.0 PB A:ADP1001 3.3 21.4 1.0 CB A:THR98 3.3 27.2 1.0 AL A:ALF1002 3.5 21.6 1.0 O3B A:ADP1001 3.5 18.3 1.0 F4 A:ALF1002 3.7 22.5 1.0 OE1 A:GLU172 3.9 19.5 1.0 N A:THR98 3.9 20.9 1.0 OD2 A:ASP171 4.0 21.4 1.0 O A:HOH1140 4.1 21.3 1.0 F3 A:ALF1002 4.2 25.1 1.0 CA A:THR98 4.2 21.7 1.0 O2A A:ADP1001 4.2 23.8 1.0 O3A A:ADP1001 4.3 22.1 1.0 O1B A:ADP1001 4.3 18.9 1.0 OD1 A:ASP171 4.3 25.6 1.0 CA A:GLY436 4.4 20.1 1.0 O A:HOH1101 4.4 20.2 1.0 O A:HOH1154 4.4 22.8 1.0 CG2 A:THR98 4.4 21.7 1.0 O A:GLY436 4.4 22.1 1.0 CG A:ASP171 4.6 22.5 1.0 CD A:GLU172 4.6 24.0 1.0 PA A:ADP1001 4.6 23.1 1.0 O1A A:ADP1001 4.8 24.1 1.0 C A:GLY436 4.9 22.9 1.0 CB A:LYS97 4.9 22.2 1.0 C A:LYS97 4.9 22.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP


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 Helicase PIF1 From Thermus Oshimai in Complex with Adp-ALF4 and (Dt)7DS11BP within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:121.1 occ:1.00 F2 B:ALF603 1.9 46.0 1.0 O B:HOH771 2.0 36.5 1.0 O B:HOH759 2.1 37.5 1.0 O1B B:ADP602 2.2 38.5 1.0 O B:HOH763 2.3 32.3 1.0 OG1 B:THR98 2.4 41.8 1.0 PB B:ADP602 3.3 37.6 1.0 CB B:THR98 3.4 44.6 1.0 AL B:ALF603 3.5 41.1 1.0 O3B B:ADP602 3.6 37.2 1.0 F3 B:ALF603 3.8 41.1 1.0 OE1 B:GLU172 3.8 45.8 1.0 N B:THR98 3.8 38.8 1.0 O B:HOH764 3.9 37.5 1.0 OD2 B:ASP171 3.9 44.6 1.0 OD1 B:ASP171 4.1 40.4 1.0 F4 B:ALF603 4.1 38.2 1.0 CA B:THR98 4.2 40.5 1.0 O2B B:ADP602 4.3 36.6 1.0 CG B:ASP171 4.4 44.4 1.0 O3A B:ADP602 4.4 36.8 1.0 O1A B:ADP602 4.4 38.8 1.0 O B:HOH703 4.4 33.9 1.0 O B:HOH711 4.4 33.2 1.0 CD B:GLU172 4.5 54.8 1.0 CA B:GLY436 4.5 38.1 1.0 CG2 B:THR98 4.5 34.9 1.0 CB B:LYS97 4.6 38.0 1.0 O B:GLY436 4.6 37.5 1.0 C B:LYS97 4.8 40.4 1.0 CE B:LYS97 4.8 41.1 1.0 PA B:ADP602 4.8 39.4 1.0 O2A B:ADP602 5.0 42.3 1.0

Y.X.Dai, W.F.Chen, F.Y.Teng, N.N.Liu, X.M.Hou, S.X.Dou, S.Rety, X.G.Xi. Unraveling the Structural and Mechanistic Basis of SF1B Helicase Dimerization: Inhibitory Regulation of Thermus Oshimau PIF1 Activity To Be Published.