Magnesium in PDB 6ycx: Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State

The structure of Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State, PDB code: 6ycx was solved by D.Moussaoui, J.P.Robblee, D.Auguin, E.B.Krementsova, J.Robert-Paganin, K.M.Trybus, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.40 / 3.99
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	168.240, 287.430, 78.610, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 27.3

The structure of Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State also contains other interesting chemical elements:

Vanadium

(V)

2 atoms

The binding sites of Magnesium atom in the Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State (pdb code 6ycx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State, PDB code: 6ycx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:27.2 occ:1.00 OG1 A:THR198 1.9 7.9 1.0 O1B A:ADP901 1.9 6.6 1.0 O2 A:VO4902 2.4 8.7 1.0 OG A:SER246 2.7 9.8 1.0 O2B A:ADP901 2.9 8.1 1.0 PB A:ADP901 2.9 6.9 1.0 CB A:SER246 3.0 9.9 1.0 CB A:THR198 3.2 7.5 1.0 OD1 A:ASP469 3.4 6.5 1.0 N A:SER246 3.7 10.8 1.0 V A:VO4902 3.8 8.6 1.0 N A:THR198 3.9 5.4 1.0 CA A:SER246 4.0 11.0 1.0 O2A A:ADP901 4.0 8.2 1.0 O3A A:ADP901 4.1 6.9 1.0 O3B A:ADP901 4.1 6.7 1.0 O A:ILE470 4.1 6.9 1.0 O1 A:VO4902 4.1 7.6 1.0 CA A:THR198 4.1 6.0 1.0 CG2 A:THR198 4.2 8.1 1.0 CG A:ASP469 4.3 7.0 1.0 OD2 A:ASP469 4.3 7.9 1.0 PA A:ADP901 4.5 7.1 1.0 O A:ASN244 4.5 10.8 1.0 O4 A:VO4902 4.6 9.0 1.0 ND2 A:ASN236 4.6 11.6 1.0 O1A A:ADP901 4.7 6.1 1.0 CB A:LYS197 4.8 4.3 1.0 CE A:LYS197 4.9 5.0 1.0 C A:SER245 4.9 12.0 1.0 O3 A:VO4902 4.9 9.4 1.0

Magnesium binding site 2 out of 2 in the Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg903 b:27.2 occ:1.00 O3B B:ADP901 1.9 37.0 1.0 CE B:LYS197 2.2 32.9 1.0 CB B:LYS197 2.4 35.6 1.0 NZ B:LYS197 2.8 29.0 1.0 CD B:LYS197 3.0 36.8 1.0 CG B:LYS197 3.0 35.6 1.0 PB B:ADP901 3.1 36.1 1.0 O2B B:ADP901 3.3 35.8 1.0 O B:ILE470 3.3 43.7 1.0 CA B:LYS197 3.5 33.6 1.0 O1 B:VO4902 3.5 44.9 1.0 OD1 B:ASP469 3.5 42.4 1.0 N B:THR198 3.6 35.2 1.0 O2 B:VO4902 3.8 43.0 1.0 N B:LYS197 3.8 34.5 1.0 OG1 B:THR198 3.8 45.6 1.0 O1B B:ADP901 3.9 41.4 1.0 C B:LYS197 3.9 36.1 1.0 V B:VO4902 4.3 43.1 1.0 O3A B:ADP901 4.4 39.5 1.0 C B:ILE470 4.5 44.6 1.0 CA B:THR198 4.7 36.3 1.0 N B:GLY472 4.7 41.4 1.0 CG B:ASP469 4.7 45.0 1.0 CB B:THR198 4.7 42.1 1.0

D.Moussaoui, J.P.Robblee, D.Auguin, E.B.Krementsova, S.Haase, T.C.A.Blake, J.Baum, J.Robert-Paganin, K.M.Trybus, A.Houdusse. Full-Length Plasmodium Falciparum Myosin A and Essential Light Chain Pfelc Structures Provide New Anti-Malarial Targets. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 33046215
DOI: 10.7554/ELIFE.60581