Aluminium 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:

Magnesium	(Mg)	2 atoms
Fluorine	(F)	8 atoms

The binding sites of Aluminium 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 Aluminium atom.
In total 2 binding sites of Aluminium 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 Aluminium binding site number: 1; 2;

Aluminium 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 Aluminium with other atoms in the Al 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:Al1003 b:39.2 occ:1.00 AL A:ALF1003 0.0 39.2 1.0 F1 A:ALF1003 1.8 40.3 1.0 F4 A:ALF1003 1.8 48.3 1.0 F3 A:ALF1003 1.8 35.8 1.0 F2 A:ALF1003 1.8 42.0 1.0 O A:HOH1133 1.9 29.6 1.0 O3B A:ADP1001 2.2 32.6 1.0 PB A:ADP1001 3.2 34.5 1.0 MG A:MG1002 3.2 33.3 1.0 O A:HOH1154 3.5 28.0 1.0 O2B A:ADP1001 3.6 37.0 1.0 O1B A:ADP1001 3.7 33.8 1.0 OE2 A:GLU172 3.8 37.4 1.0 NZ A:LYS97 3.9 59.2 1.0 NH2 A:ARG256 3.9 31.3 1.0 OE1 A:GLN212 3.9 27.8 1.0 O A:HOH1160 4.0 31.4 1.0 NE2 A:GLN212 4.1 26.0 1.0 O A:HOH1158 4.1 27.9 1.0 NH1 A:ARG462 4.1 26.3 1.0 N A:GLY94 4.2 31.7 1.0 O A:HOH1171 4.2 30.9 1.0 CA A:GLY436 4.2 24.1 1.0 NH2 A:ARG462 4.3 31.8 1.0 CE A:LYS97 4.4 53.0 1.0 CD A:GLN212 4.5 25.9 1.0 N A:GLY436 4.5 38.2 1.0 NH1 A:ARG256 4.5 37.8 1.0 CA A:ALA93 4.5 33.6 1.0 O3A A:ADP1001 4.6 26.8 1.0 CD A:GLU172 4.7 35.6 1.0 CZ A:ARG462 4.7 30.0 1.0 CZ A:ARG256 4.7 35.2 1.0 C A:GLY436 4.8 24.4 1.0 O A:GLY436 4.9 24.5 1.0 OE1 A:GLU172 4.9 38.4 1.0 C A:ALA93 4.9 36.5 1.0 CB A:ALA93 4.9 35.6 1.0

Aluminium 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 Aluminium with other atoms in the Al 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:Al1003 b:47.5 occ:1.00 AL B:ALF1003 0.0 47.5 1.0 F3 B:ALF1003 1.8 45.6 1.0 F4 B:ALF1003 1.8 45.4 1.0 F1 B:ALF1003 1.8 46.4 1.0 F2 B:ALF1003 1.8 47.9 1.0 O1B B:ADP1001 2.3 51.2 1.0 PB B:ADP1001 3.2 50.8 1.0 O B:HOH1163 3.2 45.6 1.0 MG B:MG1002 3.5 52.3 1.0 O3B B:ADP1001 3.5 51.8 1.0 O B:HOH1142 3.7 53.4 1.0 OE1 B:GLU172 3.7 62.4 1.0 O2B B:ADP1001 3.8 47.8 1.0 O B:HOH1125 3.8 37.7 1.0 NH1 B:ARG462 4.0 47.2 1.0 O B:HOH1116 4.0 52.4 1.0 NH2 B:ARG256 4.1 45.9 1.0 NH2 B:ARG462 4.1 43.9 1.0 N B:GLY94 4.1 54.6 1.0 NZ B:LYS97 4.3 45.0 1.0 CA B:GLY436 4.4 45.2 1.0 OE1 B:GLN212 4.4 49.4 1.0 NE2 B:GLN212 4.4 39.9 1.0 CA B:ALA93 4.4 53.5 1.0 NH1 B:ARG256 4.5 49.0 1.0 CZ B:ARG462 4.6 45.4 1.0 O3A B:ADP1001 4.6 49.6 1.0 N B:GLY436 4.6 47.4 1.0 CE B:LYS97 4.7 41.2 1.0 CZ B:ARG256 4.8 47.7 1.0 CB B:ALA93 4.8 48.6 1.0 CD B:GLU172 4.8 60.5 1.0 O1A B:ADP1001 4.8 54.3 1.0 CD B:GLN212 4.8 43.4 1.0 C B:ALA93 4.9 56.4 1.0 O B:GLY436 4.9 52.3 1.0 C B:GLY436 5.0 46.8 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.