Aluminium in PDB 8xak: Structure of PIF1-G4 Complex

The structure of Structure of PIF1-G4 Complex, PDB code: 8xak was solved by Z.Hong, H.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 3.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.163, 125.141, 258.233, 90, 91.47, 90
R / Rfree (%)	28.2 / 32.4

The structure of Structure of PIF1-G4 Complex also contains other interesting chemical elements:

Potassium	(K)	6 atoms
Fluorine	(F)	8 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Aluminium atom in the Structure of PIF1-G4 Complex (pdb code 8xak). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Structure of PIF1-G4 Complex, PDB code: 8xak:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Structure of PIF1-G4 Complex


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Structure of PIF1-G4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Al1002 b:22.2 occ:1.00 AL A:ALF1002 0.0 22.2 1.0 F4 A:ALF1002 1.8 24.0 1.0 F1 A:ALF1002 1.8 21.8 1.0 F3 A:ALF1002 1.8 23.8 1.0 F2 A:ALF1002 1.8 20.1 1.0 O2B A:ADP1001 2.9 29.7 1.0 NH2 A:ARG734 3.2 21.0 1.0 NH1 A:ARG417 3.4 37.0 1.0 OE2 A:GLU342 3.5 13.8 1.0 NE2 A:GLN381 3.7 28.4 1.0 PB A:ADP1001 3.8 30.4 1.0 OE1 A:GLN381 4.0 24.1 1.0 CA A:GLY709 4.1 21.1 1.0 N A:GLY709 4.1 20.7 1.0 NH2 A:ARG417 4.2 40.0 1.0 MG A:MG1003 4.2 19.4 1.0 O1B A:ADP1001 4.2 31.8 1.0 CZ A:ARG417 4.2 34.4 1.0 O3B A:ADP1001 4.3 30.1 1.0 CD A:GLN381 4.3 27.8 1.0 CZ A:ARG734 4.4 19.2 1.0 CA A:ALA260 4.4 21.3 1.0 N A:GLY261 4.5 24.0 1.0 CD A:GLU342 4.5 23.1 1.0 NZ A:LYS264 4.7 38.2 1.0 OE1 A:GLU342 4.7 22.4 1.0 CE A:LYS264 4.8 36.3 1.0 CB A:ALA260 4.8 21.6 1.0 C A:GLY709 5.0 21.6 1.0 CG A:GLN708 5.0 22.7 1.0

Aluminium binding site 2 out of 2 in the Structure of PIF1-G4 Complex


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Structure of PIF1-G4 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Al1002 b:29.0 occ:1.00 AL C:ALF1002 0.0 29.0 1.0 F2 C:ALF1002 1.8 26.8 1.0 F1 C:ALF1002 1.8 28.6 1.0 F3 C:ALF1002 1.8 30.6 1.0 F4 C:ALF1002 1.8 30.7 1.0 O2B C:ADP1001 2.7 33.0 1.0 OE2 C:GLU342 3.4 47.7 1.0 NH2 C:ARG734 3.7 33.4 1.0 NE2 C:GLN381 3.7 23.2 1.0 PB C:ADP1001 3.8 33.8 1.0 OE1 C:GLN381 3.8 31.7 1.0 CZ C:ARG734 3.9 37.0 1.0 NH1 C:ARG734 4.0 39.3 1.0 NH2 C:ARG417 4.0 41.6 1.0 NH1 C:ARG417 4.0 36.3 1.0 N C:GLY709 4.0 24.9 1.0 CA C:GLY709 4.1 22.9 1.0 O3B C:ADP1001 4.2 35.2 1.0 CD C:GLN381 4.2 23.0 1.0 O1B C:ADP1001 4.3 33.5 1.0 MG C:MG1003 4.4 30.9 1.0 CD C:GLU342 4.5 43.7 1.0 CZ C:ARG417 4.5 35.7 1.0 NE C:ARG734 4.7 37.4 1.0 N C:GLY261 4.7 30.3 1.0 CA C:ALA260 4.8 30.4 1.0 OE1 C:GLU342 4.8 40.5 1.0 C C:GLY709 4.9 22.4 1.0 CG C:GLN708 4.9 26.2 1.0 CB C:ALA260 5.0 30.3 1.0

Z.Hong, A.K.Byrd, J.Gao, P.Das, V.Q.Tan, E.G.Malone, B.Osei, J.C.Marecki, R.U.Protacio, W.P.Wahls, K.D.Raney, H.Song. Eukaryotic PIF1 Helicase Unwinds G-Quadruplex and Dsdna Using A Conserved Wedge. Nat Commun V. 15 6104 2024.
ISSN: ESSN 2041-1723
PubMed: 39030241
DOI: 10.1038/S41467-024-50575-8