Magnesium in PDB 6s3m: Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Ssdna (Dt)18 and Adp-ALF4

The structure of Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Ssdna (Dt)18 and Adp-ALF4, PDB code: 6s3m 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)	43.54 / 2.11
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	87.735, 101.974, 250.925, 90, 90, 90
R / Rfree (%)	22.4 / 26.8

The structure of Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Ssdna (Dt)18 and Adp-ALF4 also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Ssdna (Dt)18 and Adp-ALF4 (pdb code 6s3m). 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 Ssdna (Dt)18 and Adp-ALF4, PDB code: 6s3m:
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 Ssdna (Dt)18 and 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 Helicase PIF1 From Thermus Oshimai in Complex with Ssdna (Dt)18 and Adp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:33.3 occ:1.00 O2B A:ADP1001 2.0 37.0 1.0 F2 A:ALF1003 2.0 42.0 1.0 O A:HOH1160 2.0 31.4 1.0 OG1 A:THR98 2.1 43.8 1.0 O A:HOH1171 2.2 30.9 1.0 O A:HOH1158 2.2 27.9 1.0 F4 A:ALF1003 2.7 48.3 1.0 PB A:ADP1001 3.0 34.5 1.0 AL A:ALF1003 3.2 39.2 1.0 CB A:THR98 3.3 33.8 1.0 O3B A:ADP1001 3.3 32.6 1.0 OE2 A:GLU172 3.9 37.4 1.0 N A:THR98 3.9 33.5 1.0 O2A A:ADP1001 4.1 27.0 1.0 O1B A:ADP1001 4.1 33.8 1.0 O A:HOH1154 4.1 28.0 1.0 CA A:THR98 4.2 32.0 1.0 OD2 A:ASP171 4.2 30.8 1.0 O3A A:ADP1001 4.3 26.8 1.0 CG2 A:THR98 4.3 28.1 1.0 O A:GLY436 4.3 24.5 1.0 CA A:GLY436 4.3 24.1 1.0 O A:HOH1133 4.4 29.6 1.0 F3 A:ALF1003 4.4 35.8 1.0 OD1 A:ASP171 4.4 26.5 1.0 NZ A:LYS97 4.5 59.2 1.0 PA A:ADP1001 4.5 42.1 1.0 O A:HOH1165 4.6 34.1 1.0 CD A:GLU172 4.6 35.6 1.0 F1 A:ALF1003 4.7 40.3 1.0 CG A:ASP171 4.7 28.7 1.0 O1A A:ADP1001 4.8 31.8 1.0 C A:GLY436 4.8 24.4 1.0 CB A:LYS97 4.9 32.4 1.0 CE A:LYS97 4.9 53.0 1.0 C A:LYS97 5.0 32.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Ssdna (Dt)18 and 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 Helicase PIF1 From Thermus Oshimai in Complex with Ssdna (Dt)18 and Adp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:52.3 occ:1.00 OG1 B:THR98 1.7 82.4 1.0 O3B B:ADP1001 1.8 51.8 1.0 O B:HOH1142 1.8 53.4 1.0 O B:HOH1125 1.9 37.7 1.0 F2 B:ALF1003 1.9 47.9 1.0 O B:HOH1116 2.0 52.4 1.0 CB B:THR98 2.7 72.4 1.0 PB B:ADP1001 3.1 50.8 1.0 AL B:ALF1003 3.5 47.5 1.0 N B:THR98 3.5 58.6 1.0 O1B B:ADP1001 3.5 51.2 1.0 F3 B:ALF1003 3.5 45.6 1.0 CA B:THR98 3.6 65.0 1.0 O1A B:ADP1001 3.7 54.3 1.0 CG2 B:THR98 3.8 71.5 1.0 OD2 B:ASP171 3.8 60.0 1.0 O3A B:ADP1001 4.1 49.6 1.0 OE1 B:GLU172 4.1 62.4 1.0 O2B B:ADP1001 4.1 47.8 1.0 PA B:ADP1001 4.2 51.1 1.0 F4 B:ALF1003 4.3 45.4 1.0 O B:HOH1163 4.3 45.6 1.0 O B:GLY436 4.5 52.3 1.0 O2A B:ADP1001 4.5 50.2 1.0 OD1 B:ASP171 4.6 63.0 1.0 C B:LYS97 4.6 57.4 1.0 CG B:ASP171 4.6 61.2 1.0 CB B:LYS97 4.7 55.8 1.0 CA B:GLY436 4.7 45.2 1.0 C B:THR98 4.9 66.7 1.0 CD B:GLU172 5.0 60.5 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.