Magnesium in PDB 7otj: Crystal Structure of PIF1 Helicase From Candida Albicans

All present enzymatic activity of Crystal Structure of PIF1 Helicase From Candida Albicans:
3.6.4.12;

The structure of Crystal Structure of PIF1 Helicase From Candida Albicans, PDB code: 7otj was solved by S.Rety, X.G.Xi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.51 / 2.58
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	198.973, 79.96, 94.11, 90, 117.28, 90
R / Rfree (%)	20.6 / 24.2

The structure of Crystal Structure of PIF1 Helicase From Candida Albicans also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Aluminium	(Al)	2 atoms
Potassium	(K)	10 atoms

The binding sites of Magnesium atom in the Crystal Structure of PIF1 Helicase From Candida Albicans (pdb code 7otj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of PIF1 Helicase From Candida Albicans, PDB code: 7otj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1003 b:38.4 occ:1.00 F1 A:ALF1002 2.0 46.4 1.0 O A:HOH1125 2.0 37.8 1.0 O A:HOH1134 2.0 40.0 1.0 O2B A:ADP1001 2.1 49.0 1.0 O A:HOH1123 2.1 37.2 1.0 OG A:SER397 2.4 36.5 1.0 PB A:ADP1001 3.3 50.8 1.0 AL A:ALF1002 3.5 47.5 1.0 CB A:SER397 3.5 37.6 1.0 O A:HOH1148 3.5 46.1 1.0 OE1 A:GLU473 3.6 43.6 1.0 O3B A:ADP1001 3.7 46.8 1.0 F4 A:ALF1002 3.8 43.2 1.0 OD2 A:ASP472 4.0 38.6 1.0 N A:SER397 4.0 46.9 1.0 F3 A:ALF1002 4.0 39.7 1.0 OD1 A:ASP472 4.0 48.2 1.0 O1B A:ADP1001 4.2 37.2 1.0 O2A A:ADP1001 4.3 40.2 1.0 CA A:GLY822 4.3 39.6 1.0 CA A:SER397 4.3 45.8 1.0 CG A:ASP472 4.4 42.2 1.0 O3A A:ADP1001 4.5 41.1 1.0 CD A:GLU473 4.5 45.4 1.0 O A:GLY822 4.6 46.3 1.0 O A:HOH1106 4.6 42.5 1.0 PA A:ADP1001 4.7 47.1 1.0 CB A:LYS396 4.7 41.7 1.0 O1A A:ADP1001 4.8 53.7 1.0 OD1 A:ASN427 4.9 50.8 1.0 CE A:LYS396 4.9 53.6 1.0 C A:GLY822 5.0 41.6 1.0 C A:LYS396 5.0 44.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of PIF1 Helicase From Candida Albicans


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of PIF1 Helicase From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1003 b:37.2 occ:1.00 F1 B:ALF1002 1.9 47.0 1.0 O B:HOH1115 2.0 37.2 1.0 O1B B:ADP1001 2.0 44.1 1.0 O B:HOH1132 2.2 42.3 1.0 OG B:SER397 2.2 47.3 1.0 O B:HOH1110 2.3 37.2 1.0 CB B:SER397 3.2 38.2 1.0 PB B:ADP1001 3.2 51.8 1.0 AL B:ALF1002 3.4 37.2 1.0 O3B B:ADP1001 3.7 46.9 1.0 F4 B:ALF1002 3.7 37.2 1.0 OE2 B:GLU473 3.8 44.8 1.0 N B:SER397 3.8 50.5 1.0 O2A B:ADP1001 4.0 49.8 1.0 F3 B:ALF1002 4.0 45.2 1.0 CA B:SER397 4.1 43.3 1.0 OD1 B:ASP472 4.1 40.9 1.0 O B:HOH1108 4.2 40.5 1.0 OD2 B:ASP472 4.2 46.7 1.0 O2B B:ADP1001 4.2 40.8 1.0 O3A B:ADP1001 4.3 43.6 1.0 CA B:GLY822 4.4 37.1 1.0 PA B:ADP1001 4.5 37.3 1.0 O1A B:ADP1001 4.5 51.2 1.0 CG B:ASP472 4.6 42.7 1.0 CD B:GLU473 4.6 45.2 1.0 O B:GLY822 4.6 38.1 1.0 CB B:LYS396 4.7 36.5 1.0 O B:HOH1104 4.7 44.8 1.0 C B:LYS396 4.8 48.9 1.0 OD1 B:ASN427 4.8 39.4 1.0 CE B:LYS396 4.8 50.3 1.0

K.Y.Lu, B.G.Xin, T.Zhang, N.N.Liu, D.Li, S.Rety, X.G.Xi. Structural Study of the Function of Candida Albicans PIF1. Biochem.Biophys.Res.Commun. V. 567 190 2021.
ISSN: ESSN 1090-2104
PubMed: 34166917
DOI: 10.1016/J.BBRC.2021.06.050