Fluorine in PDB 6due: Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State

The structure of Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State, PDB code: 6due was solved by C.J.Powell, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.72 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.250, 96.230, 92.050, 90.00, 110.98, 90.00
R / Rfree (%)	22 / 26.1

The structure of Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State (pdb code 6due). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State, PDB code: 6due:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:43.5 occ:1.00 F1 A:ALF802 0.0 43.5 1.0 AL A:ALF802 1.8 33.3 1.0 MG A:MG803 2.0 29.7 1.0 F3 A:ALF802 2.5 33.1 1.0 F4 A:ALF802 2.5 35.0 1.0 O2B A:ADP801 2.9 39.6 1.0 O3B A:ADP801 3.4 41.7 1.0 CE A:LYS199 3.5 36.1 1.0 O A:HOH904 3.5 30.2 1.0 PB A:ADP801 3.5 35.6 1.0 F2 A:ALF802 3.6 31.4 1.0 O A:ILE472 3.6 52.4 1.0 CA A:PHE473 3.7 34.9 1.0 CB A:SER248 3.9 46.4 1.0 NZ A:LYS199 3.9 32.1 1.0 OG1 A:THR200 3.9 35.0 1.0 OG A:SER248 4.0 46.1 1.0 N A:GLY474 4.0 36.5 1.0 O1B A:ADP801 4.2 44.6 1.0 C A:ILE472 4.3 48.9 1.0 N A:PHE473 4.3 39.7 1.0 N A:SER248 4.3 48.0 1.0 C A:PHE473 4.4 36.4 1.0 CB A:PHE473 4.4 36.6 1.0 O A:SER248 4.4 52.3 1.0 OD1 A:ASP471 4.5 79.2 1.0 CA A:SER248 4.6 46.3 1.0 CB A:LYS199 4.7 34.2 1.0 CD A:LYS199 4.8 38.7 1.0 O3A A:ADP801 5.0 30.6 1.0

Fluorine binding site 2 out of 4 in the Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:31.4 occ:1.00 F2 A:ALF802 0.0 31.4 1.0 AL A:ALF802 1.8 33.3 1.0 F4 A:ALF802 2.5 35.0 1.0 F3 A:ALF802 2.5 33.1 1.0 O3B A:ADP801 2.6 41.7 1.0 OG A:SER195 2.7 33.5 1.0 ND2 A:ASN244 3.2 33.5 1.0 OG A:SER247 3.2 47.0 1.0 CB A:SER247 3.6 47.9 1.0 F1 A:ALF802 3.6 43.5 1.0 CB A:SER195 3.6 37.3 1.0 CA A:SER247 3.6 42.0 1.0 CA A:SER195 3.6 38.4 1.0 N A:GLY196 3.7 32.7 1.0 CB A:ASN244 3.8 32.9 1.0 PB A:ADP801 3.9 35.6 1.0 CG A:ASN244 4.0 32.4 1.0 N A:SER248 4.0 48.0 1.0 C A:SER195 4.1 35.4 1.0 C A:SER247 4.3 48.9 1.0 O2B A:ADP801 4.3 39.6 1.0 O A:HOH904 4.6 30.2 1.0 MG A:MG803 4.7 29.7 1.0 O3A A:ADP801 4.7 30.6 1.0 CA A:GLY196 4.8 37.5 1.0 N A:SER247 4.8 33.5 1.0 O A:SER248 4.8 52.3 1.0 NZ A:LYS199 4.9 32.1 1.0 N A:SER195 4.9 33.4 1.0 O1B A:ADP801 5.0 44.6 1.0

Fluorine binding site 3 out of 4 in the Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:33.1 occ:1.00 F3 A:ALF802 0.0 33.1 1.0 AL A:ALF802 1.8 33.3 1.0 F1 A:ALF802 2.5 43.5 1.0 F2 A:ALF802 2.5 31.4 1.0 N A:GLY474 2.7 36.5 1.0 O3B A:ADP801 2.9 41.7 1.0 NZ A:LYS199 3.0 32.1 1.0 CE A:LYS199 3.3 36.1 1.0 CA A:GLY474 3.5 39.1 1.0 CA A:SER195 3.5 38.4 1.0 F4 A:ALF802 3.6 35.0 1.0 C A:PHE473 3.7 36.4 1.0 CA A:PHE473 3.7 34.9 1.0 PB A:ADP801 3.8 35.6 1.0 OG A:SER195 3.9 33.5 1.0 CB A:SER195 4.0 37.3 1.0 N A:SER195 4.1 33.4 1.0 O A:GLY474 4.2 32.4 1.0 C A:GLY474 4.2 49.4 1.0 O2B A:ADP801 4.2 39.6 1.0 O1B A:ADP801 4.2 44.6 1.0 CB A:PHE473 4.3 36.6 1.0 O A:GLU194 4.3 43.0 1.0 MG A:MG803 4.4 29.7 1.0 N A:GLY196 4.4 32.7 1.0 C A:GLU194 4.4 39.0 1.0 O A:ILE472 4.5 52.4 1.0 C A:SER195 4.5 35.4 1.0 O A:PHE473 4.8 33.6 1.0 CD A:LYS199 4.8 38.7 1.0 N A:PHE473 5.0 39.7 1.0

Fluorine binding site 4 out of 4 in the Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Toxoplasma Gondii Myoa, A Class-Xiv Myosin, in the Pre-Powerstroke State within 5.0Å range: probe atom residue distance (Å) B Occ A:F802 b:35.0 occ:1.00 F4 A:ALF802 0.0 35.0 1.0 AL A:ALF802 1.8 33.3 1.0 O A:HOH904 2.2 30.2 1.0 N A:SER248 2.5 48.0 1.0 F2 A:ALF802 2.5 31.4 1.0 F1 A:ALF802 2.5 43.5 1.0 MG A:MG803 2.5 29.7 1.0 O2B A:ADP801 3.0 39.6 1.0 O3B A:ADP801 3.1 41.7 1.0 OG A:SER248 3.2 46.1 1.0 CA A:SER247 3.3 42.0 1.0 ND2 A:ASN244 3.3 33.5 1.0 C A:SER247 3.3 48.9 1.0 CB A:SER248 3.4 46.4 1.0 CA A:SER248 3.5 46.3 1.0 F3 A:ALF802 3.6 33.1 1.0 PB A:ADP801 3.6 35.6 1.0 O A:ASN246 3.7 35.6 1.0 O2A A:ADP801 3.8 35.3 1.0 OG A:SER247 4.1 47.0 1.0 O A:SER248 4.2 52.3 1.0 CB A:SER247 4.2 47.9 1.0 OG1 A:THR200 4.2 35.0 1.0 N A:SER247 4.3 33.5 1.0 C A:SER248 4.3 51.3 1.0 C A:ASN246 4.4 36.2 1.0 O3A A:ADP801 4.4 30.6 1.0 CG A:ASN244 4.5 32.4 1.0 O A:SER247 4.5 51.9 1.0 PA A:ADP801 4.7 39.5 1.0 ND2 A:ASN238 4.9 62.9 1.0 O1B A:ADP801 4.9 44.6 1.0

C.J.Powell, R.Ramaswamy, A.Kelsen, D.J.Hamelin, D.M.Warshaw, J.Bosch, J.E.Burke, G.E.Ward, M.J.Boulanger. Structural and Mechanistic Insights Into the Function of the Unconventional Class Xiv Myosin Myoa Fromtoxoplasma Gondii. Proc. Natl. Acad. Sci. V. 115 10548 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30348763
DOI: 10.1073/PNAS.1811167115