Aluminium in PDB 5o6e: Structure of SCPIF1 in Complex with Tttgggtt and Adp-ALF4

All present enzymatic activity of Structure of SCPIF1 in Complex with Tttgggtt and Adp-ALF4:
3.6.4.12;

The structure of Structure of SCPIF1 in Complex with Tttgggtt and Adp-ALF4, PDB code: 5o6e was solved by K.Y.Lu, W.F.Chen, S.Rety, N.N.Liu, X.G.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.21 / 3.35
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	150.605, 150.605, 136.339, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 25.7

The structure of Structure of SCPIF1 in Complex with Tttgggtt and Adp-ALF4 also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Aluminium atom in the Structure of SCPIF1 in Complex with Tttgggtt and Adp-ALF4 (pdb code 5o6e). 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 SCPIF1 in Complex with Tttgggtt and Adp-ALF4, PDB code: 5o6e:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Structure of SCPIF1 in Complex with Tttgggtt 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 Structure of SCPIF1 in Complex with Tttgggtt and Adp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Al1002 b:78.3 occ:1.00 AL A:ALF1002 0.0 78.3 1.0 F4 A:ALF1002 1.8 82.9 1.0 F1 A:ALF1002 1.8 66.1 1.0 F3 A:ALF1002 1.8 91.8 1.0 F2 A:ALF1002 1.8 79.6 1.0 O3B A:ADP1001 2.3 72.7 1.0 O2B A:ADP1001 3.1 69.4 1.0 OE2 A:GLU342 3.1 0.7 1.0 PB A:ADP1001 3.2 75.4 1.0 MG A:MG1003 3.7 74.9 1.0 NH2 A:ARG417 3.9 1.0 1.0 NZ A:LYS264 4.1 58.5 1.0 CA A:GLY709 4.2 81.4 1.0 CD A:GLU342 4.2 0.4 1.0 NH1 A:ARG734 4.2 78.3 1.0 NE2 A:GLN381 4.2 59.7 1.0 O1B A:ADP1001 4.3 77.7 1.0 N A:GLY261 4.3 81.2 1.0 OE1 A:GLN381 4.3 76.3 1.0 N A:GLY709 4.4 75.0 1.0 NH2 A:ARG734 4.4 87.4 1.0 NH1 A:ARG417 4.4 95.7 1.0 OE1 A:GLU342 4.5 0.1 1.0 O3A A:ADP1001 4.5 77.0 1.0 CE A:LYS264 4.6 58.6 1.0 CZ A:ARG417 4.6 95.2 1.0 O A:GLY709 4.7 85.4 1.0 C A:GLY709 4.7 85.1 1.0 CD A:GLN381 4.7 70.9 1.0 CA A:ALA260 4.8 98.0 1.0 CZ A:ARG734 4.8 81.5 1.0 OG A:SER265 4.9 0.8 1.0

Aluminium binding site 2 out of 2 in the Structure of SCPIF1 in Complex with Tttgggtt 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 Structure of SCPIF1 in Complex with Tttgggtt and Adp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ B:Al1002 b:67.6 occ:1.00 AL B:ALF1002 0.0 67.6 1.0 F4 B:ALF1002 1.8 67.3 1.0 F1 B:ALF1002 1.8 58.0 1.0 F3 B:ALF1002 1.8 80.0 1.0 F2 B:ALF1002 1.8 66.8 1.0 O2B B:ADP1001 2.3 69.4 1.0 OE2 B:GLU342 3.2 0.6 1.0 O1B B:ADP1001 3.3 72.8 1.0 PB B:ADP1001 3.3 73.7 1.0 MG B:MG1003 3.4 68.3 1.0 NH2 B:ARG734 3.7 82.7 1.0 NH1 B:ARG734 3.9 82.5 1.0 NE2 B:GLN381 4.0 66.0 1.0 OE1 B:GLN381 4.2 76.7 1.0 NH2 B:ARG417 4.2 67.0 1.0 CA B:GLY709 4.2 84.4 1.0 CD B:GLU342 4.2 97.4 1.0 CZ B:ARG734 4.3 81.9 1.0 N B:GLY261 4.3 68.7 1.0 N B:GLY709 4.3 81.9 1.0 NH1 B:ARG417 4.3 65.7 1.0 O3A B:ADP1001 4.4 76.8 1.0 CA B:ALA260 4.4 77.1 1.0 OE1 B:GLU342 4.4 0.9 1.0 NZ B:LYS264 4.5 55.8 1.0 O3B B:ADP1001 4.5 73.5 1.0 CD B:GLN381 4.6 71.5 1.0 CE B:LYS264 4.7 59.9 1.0 CZ B:ARG417 4.8 66.8 1.0 C B:GLY709 4.8 87.9 1.0 CB B:ALA260 4.8 76.0 1.0 O B:GLY709 4.8 88.8 1.0 C B:ALA260 4.9 71.5 1.0

K.Y.Lu, W.F.Chen, S.Rety, N.N.Liu, W.Q.Wu, Y.X.Dai, D.Li, H.Y.Ma, S.X.Dou, X.G.Xi. Insights Into the Structural and Mechanistic Basis of Multifunctional S. Cerevisiae PIF1P Helicase. Nucleic Acids Res. V. 46 1486 2018.
ISSN: ESSN 1362-4962
PubMed: 29202194
DOI: 10.1093/NAR/GKX1217