Aluminium 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
Magnesium	(Mg)	2 atoms

The binding sites of Aluminium 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 Aluminium atom.
In total 2 binding sites of Aluminium 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 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 Adp-ALF4 and (Dt)7DS11BP


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 Adp-ALF4 and (Dt)7DS11BP within 5.0Å range: probe atom residue distance (Å) B Occ A:Al1002 b:21.6 occ:1.00 AL A:ALF1002 0.0 21.6 1.0 F2 A:ALF1002 1.8 28.8 1.0 F1 A:ALF1002 1.8 20.5 1.0 F3 A:ALF1002 1.8 25.1 1.0 F4 A:ALF1002 1.8 22.5 1.0 O3B A:ADP1001 2.0 18.3 1.0 O A:HOH1101 2.0 20.2 1.0 PB A:ADP1001 3.2 21.4 1.0 MG A:MG1003 3.5 93.4 1.0 O2B A:ADP1001 3.6 18.9 1.0 NH2 A:ARG256 3.8 18.2 1.0 O A:HOH1140 3.8 21.3 1.0 OE1 A:GLU172 3.9 19.5 1.0 NH1 A:ARG462 3.9 18.3 1.0 N A:GLY94 4.0 20.6 1.0 NE2 A:GLN212 4.0 18.7 1.0 OE1 A:GLN212 4.0 17.9 1.0 O A:HOH1197 4.0 20.3 1.0 NH2 A:ARG462 4.0 18.9 1.0 O1B A:ADP1001 4.0 18.9 1.0 NH1 A:ARG256 4.1 17.4 1.0 CA A:GLY436 4.2 20.1 1.0 NZ A:LYS97 4.3 18.4 1.0 O A:HOH1243 4.3 23.5 1.0 O3A A:ADP1001 4.4 22.1 1.0 O A:HOH1170 4.4 20.9 1.0 CA A:ALA93 4.4 20.2 1.0 CZ A:ARG256 4.5 25.0 1.0 CD A:GLN212 4.5 27.5 1.0 CZ A:ARG462 4.5 20.5 1.0 N A:GLY436 4.5 20.9 1.0 C A:ALA93 4.7 23.3 1.0 CB A:ALA93 4.8 19.7 1.0 C A:GLY436 4.8 22.9 1.0 CE A:LYS97 4.8 20.4 1.0 CA A:GLY94 4.9 20.9 1.0 CD A:GLU172 4.9 24.0 1.0 O A:GLY436 4.9 22.1 1.0

Aluminium 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 Aluminium with other atoms in the Al 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:Al603 b:41.1 occ:1.00 AL B:ALF603 0.0 41.1 1.0 F1 B:ALF603 1.8 41.0 1.0 F2 B:ALF603 1.8 46.0 1.0 F4 B:ALF603 1.8 38.2 1.0 F3 B:ALF603 1.8 41.1 1.0 O3B B:ADP602 2.0 37.2 1.0 O B:HOH703 2.1 33.9 1.0 PB B:ADP602 3.3 37.6 1.0 MG B:MG601 3.5 121.1 1.0 O1B B:ADP602 3.6 38.5 1.0 O B:HOH764 3.8 37.5 1.0 NH2 B:ARG256 3.9 32.6 1.0 OE1 B:GLU172 3.9 45.8 1.0 NH1 B:ARG462 4.0 32.0 1.0 OE1 B:GLN212 4.0 45.0 1.0 N B:GLY94 4.0 37.9 1.0 NH2 B:ARG462 4.0 34.3 1.0 NE2 B:GLN212 4.0 36.5 1.0 O B:HOH763 4.0 32.3 1.0 O2B B:ADP602 4.0 36.6 1.0 NH1 B:ARG256 4.1 35.1 1.0 CA B:GLY436 4.2 38.1 1.0 NZ B:LYS97 4.3 39.8 1.0 O B:HOH771 4.3 36.5 1.0 CA B:ALA93 4.4 35.8 1.0 O3A B:ADP602 4.4 36.8 1.0 O B:HOH759 4.4 37.5 1.0 CD B:GLN212 4.4 45.2 1.0 CZ B:ARG256 4.5 39.8 1.0 CZ B:ARG462 4.5 39.6 1.0 N B:GLY436 4.6 40.2 1.0 C B:ALA93 4.7 38.5 1.0 CB B:ALA93 4.7 36.9 1.0 CE B:LYS97 4.8 41.1 1.0 C B:GLY436 4.8 39.7 1.0 CA B:GLY94 4.8 37.9 1.0 O B:GLY436 4.9 37.5 1.0 CD B:GLU172 4.9 54.8 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.