Magnesium in PDB 8gsu: Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain

The structure of Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain, PDB code: 8gsu was solved by M.Iwasa, T.Oda, S.Takeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.75 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.249, 91.272, 115.321, 90, 90, 90
R / Rfree (%)	16.2 / 19.1

The structure of Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain (pdb code 8gsu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain, PDB code: 8gsu:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain


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 Human Cardiac Alpha Actin (WT_ADP-Pi) in Complex with Fragmin F1 Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:10.9 occ:1.00 O A:HOH609 2.0 10.9 1.0 O1B A:ADP401 2.0 10.6 1.0 O A:HOH613 2.1 11.7 1.0 O A:HOH544 2.1 10.2 1.0 O A:HOH616 2.1 10.5 1.0 O1 A:PO4402 2.1 10.6 1.0 PB A:ADP401 3.3 12.4 1.0 P A:PO4402 3.6 12.6 1.0 O A:HOH572 3.6 11.1 1.0 O3B A:ADP401 3.7 11.8 1.0 O4 A:PO4402 3.9 11.6 1.0 O A:HOH603 3.9 12.8 1.0 O3A A:ADP401 4.0 12.4 1.0 O2A A:ADP401 4.1 10.3 1.0 OE1 A:GLN137 4.3 13.0 1.0 NZ A:LYS18 4.3 10.6 1.0 CA A:GLY13 4.3 10.7 1.0 OD1 A:ASP154 4.3 12.1 1.0 OD1 A:ASP11 4.3 10.8 1.0 OD2 A:ASP11 4.3 11.2 1.0 O3 A:PO4402 4.4 12.7 1.0 O A:HOH620 4.5 12.4 1.0 O2 A:PO4402 4.5 11.2 1.0 CA A:GLY156 4.5 9.1 1.0 O2B A:ADP401 4.5 12.9 1.0 CD A:GLN137 4.5 12.0 1.0 PA A:ADP401 4.6 11.3 1.0 NE2 A:GLN137 4.7 11.0 1.0 CG A:ASP11 4.8 11.2 1.0 O A:HOH571 5.0 10.6 1.0

M.Iwasa, S.Takeda, A.Narita, Y.Maeda, T.Oda. Mutagenic Analysis of Actin Reveals the Mechanism of HIS161 Flipping That Triggers Atp Hydrolysis Front Cell Dev Biol 2023.
ISSN: ESSN 2296-634X
DOI: 10.3389/FCELL.2023.1105460