Aluminium in PDB 7oar: Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Parallel G-Quadruplex

The structure of Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Parallel G-Quadruplex, PDB code: 7oar was solved by Y.X.Dai, N.N.Liu, H.L.Guo, W.F.Chen, S.Rety, X.G.Xi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.39 / 2.58
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	151.782, 151.782, 219.534, 90, 90, 120
R / Rfree (%)	19.4 / 24.3

The structure of Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Parallel G-Quadruplex also contains other interesting chemical elements:

Potassium	(K)	3 atoms
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 Parallel G-Quadruplex (pdb code 7oar). 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 Parallel G-Quadruplex, PDB code: 7oar:
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 Parallel G-Quadruplex


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 Parallel G-Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Al1003 b:86.1 occ:1.00 AL A:ALF1003 0.0 86.1 1.0 F2 A:ALF1003 1.8 102.7 1.0 F4 A:ALF1003 1.8 83.6 1.0 F1 A:ALF1003 1.8 89.0 1.0 F3 A:ALF1003 1.8 81.7 1.0 O3B A:ADP1001 2.1 61.8 1.0 O A:HOH1102 2.2 90.0 1.0 PB A:ADP1001 3.3 96.2 1.0 MG A:MG1002 3.5 81.8 1.0 O2B A:ADP1001 3.8 87.6 1.0 NH2 A:ARG256 3.9 84.5 1.0 NE2 A:GLN212 4.0 81.9 1.0 NH2 A:ARG462 4.0 81.0 1.0 NH1 A:ARG462 4.0 90.1 1.0 O A:HOH1101 4.0 84.1 1.0 N A:GLY94 4.0 81.6 1.0 O1B A:ADP1001 4.0 79.7 1.0 OE1 A:GLN212 4.1 87.0 1.0 O A:HOH1114 4.2 72.1 1.0 O A:HOH1105 4.2 79.5 1.0 OE1 A:GLU172 4.3 114.1 1.0 OE2 A:GLU172 4.3 103.7 1.0 NZ A:LYS97 4.3 81.8 1.0 NH1 A:ARG256 4.3 95.2 1.0 CA A:ALA93 4.4 79.4 1.0 O A:HOH1107 4.5 84.6 1.0 CA A:GLY436 4.5 99.3 1.0 CZ A:ARG462 4.5 81.8 1.0 CD A:GLN212 4.5 90.0 1.0 CD A:GLU172 4.5 102.6 1.0 O3A A:ADP1001 4.6 98.5 1.0 CZ A:ARG256 4.6 88.8 1.0 N A:GLY436 4.7 102.4 1.0 CE A:LYS97 4.7 67.6 1.0 CB A:ALA93 4.8 69.7 1.0 C A:ALA93 4.8 80.7 1.0 O A:GLY436 4.8 104.8 1.0 O2A A:ADP1001 4.9 80.7 1.0 CA A:GLY94 4.9 86.9 1.0 C A:GLY436 4.9 103.2 1.0

Aluminium binding site 2 out of 2 in the Crystal Structure of Helicase PIF1 From Thermus Oshimai in Complex with Parallel G-Quadruplex


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 Parallel G-Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Al1003 b:75.5 occ:1.00 AL B:ALF1003 0.0 75.5 1.0 F2 B:ALF1003 1.8 69.7 1.0 F4 B:ALF1003 1.8 70.8 1.0 F1 B:ALF1003 1.8 66.4 1.0 F3 B:ALF1003 1.8 68.8 1.0 O B:HOH1107 2.1 66.5 1.0 O3B B:ADP1001 2.1 59.7 1.0 PB B:ADP1001 3.3 81.8 1.0 O1B B:ADP1001 3.6 72.2 1.0 O B:HOH1109 3.6 74.7 1.0 NH2 B:ARG256 3.8 66.5 1.0 MG B:MG1002 3.8 77.4 1.0 NH1 B:ARG462 3.9 67.0 1.0 OE2 B:GLU172 3.9 71.1 1.0 O B:HOH1110 3.9 63.0 1.0 NH2 B:ARG462 3.9 66.3 1.0 OE1 B:GLN212 3.9 78.5 1.0 N B:GLY94 4.0 68.6 1.0 NE2 B:GLN212 4.1 62.0 1.0 O2B B:ADP1001 4.1 66.0 1.0 CA B:GLY436 4.1 61.9 1.0 NH1 B:ARG256 4.1 67.8 1.0 O B:HOH1116 4.2 73.8 1.0 O3A B:ADP1001 4.4 77.0 1.0 CZ B:ARG462 4.4 57.2 1.0 N B:GLY436 4.4 68.2 1.0 CZ B:ARG256 4.4 72.8 1.0 CD B:GLN212 4.5 69.6 1.0 CA B:ALA93 4.5 65.2 1.0 NZ B:LYS97 4.5 65.2 1.0 C B:GLY436 4.7 76.9 1.0 CB B:ALA93 4.7 67.1 1.0 O B:GLY436 4.8 72.7 1.0 CE B:LYS97 4.8 72.2 1.0 C B:ALA93 4.8 63.1 1.0 CD B:GLU172 4.9 74.7 1.0 CA B:GLY94 4.9 63.6 1.0 O1A B:ADP1001 4.9 64.9 1.0

Y.X.Dai, H.L.Guo, N.N.Liu, W.F.Chen, X.Ai, H.H.Li, B.Sun, X.M.Hou, S.Rety, X.G.Xi. Structural Mechanism Underpinning Thermus Oshimai PIF1-Mediated G-Quadruplex Unfolding. Embo Rep. V. 23 53874 2022.
ISSN: ESSN 1469-3178
PubMed: 35736675
DOI: 10.15252/EMBR.202153874