Vanadium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Vanadium 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 Vanadium atom.
In total 2 binding sites of Vanadium where determined in the Plasmodium Falciparum Myosin A Full-Length, Pre-Powerstroke State, PDB code: 6ycx:
Jump to Vanadium binding site number: 1; 2;

Vanadium 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 Vanadium with other atoms in the V 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:V902 b:8.6 occ:1.00 V A:VO4902 0.0 8.6 1.0 O1 A:VO4902 1.6 7.6 1.0 O2 A:VO4902 1.6 8.7 1.0 O4 A:VO4902 1.6 9.0 1.0 O3 A:VO4902 1.6 9.4 1.0 O2B A:ADP901 3.0 8.1 1.0 O3B A:ADP901 3.5 6.7 1.0 PB A:ADP901 3.6 6.9 1.0 OG A:SER245 3.7 12.2 1.0 N A:GLY472 3.7 6.9 1.0 N A:SER246 3.8 10.8 1.0 MG A:MG903 3.8 27.2 1.0 OG A:SER193 3.9 9.6 1.0 O1B A:ADP901 4.0 6.6 1.0 CA A:SER193 4.0 7.4 1.0 CB A:SER193 4.1 8.6 1.0 CA A:PHE471 4.2 8.1 1.0 O A:SER246 4.2 11.0 1.0 CA A:SER245 4.2 11.6 1.0 NZ A:LYS197 4.3 5.0 1.0 C A:PHE471 4.4 7.5 1.0 C A:SER245 4.5 12.0 1.0 CB A:SER245 4.5 12.3 1.0 N A:GLY194 4.5 7.3 1.0 CA A:GLY472 4.5 6.2 1.0 CA A:SER246 4.6 11.0 1.0 CB A:SER246 4.6 9.9 1.0 O A:GLY472 4.7 7.7 1.0 CE A:LYS197 4.7 5.0 1.0 C A:SER193 4.7 7.7 1.0 CB A:PHE471 4.8 9.2 1.0 O A:ILE470 4.8 6.9 1.0 OE2 A:GLU474 4.8 11.5 1.0 C A:SER246 4.8 11.7 1.0 N A:SER193 4.9 6.6 1.0 ND2 A:ASN242 4.9 9.6 1.0

Vanadium 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 Vanadium with other atoms in the V 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:V902 b:43.1 occ:1.00 V B:VO4902 0.0 43.1 1.0 O2 B:VO4902 1.6 43.0 1.0 O1 B:VO4902 1.6 44.9 1.0 O3 B:VO4902 1.6 46.5 1.0 O4 B:VO4902 1.6 42.9 1.0 O1B B:ADP901 2.8 41.4 1.0 OG B:SER245 3.6 52.1 1.0 N B:GLY472 3.7 41.4 1.0 PB B:ADP901 3.8 36.1 1.0 O2B B:ADP901 3.8 35.8 1.0 N B:SER246 3.8 43.3 1.0 OG B:SER193 3.9 44.5 1.0 CA B:SER193 3.9 38.8 1.0 CB B:SER193 4.1 42.6 1.0 O3B B:ADP901 4.2 37.0 1.0 CA B:SER245 4.2 44.2 1.0 O B:SER246 4.2 47.6 1.0 CA B:PHE471 4.2 43.0 1.0 MG B:MG903 4.3 27.2 1.0 NZ B:LYS197 4.3 29.0 1.0 CB B:SER245 4.4 46.7 1.0 N B:GLY194 4.4 39.0 1.0 C B:SER245 4.4 47.6 1.0 C B:PHE471 4.5 45.1 1.0 CA B:GLY472 4.6 38.9 1.0 CA B:SER246 4.6 45.1 1.0 C B:SER193 4.7 43.3 1.0 CB B:SER246 4.7 44.3 1.0 O B:GLY472 4.7 42.6 1.0 CE B:LYS197 4.8 32.9 1.0 CB B:PHE471 4.8 46.1 1.0 N B:SER193 4.8 38.6 1.0 OE2 B:GLU474 4.8 53.4 1.0 C B:SER246 4.9 49.5 1.0 O B:ILE470 4.9 43.7 1.0 ND2 B:ASN242 4.9 40.3 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