Fluorine in PDB 5o2l: Myosin VI Motor Domain in the Pre-Transition State

The structure of Myosin VI Motor Domain in the Pre-Transition State, PDB code: 5o2l was solved by T.Isabet, H.Benisty, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.18 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.340, 83.830, 177.660, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.7

The structure of Myosin VI Motor Domain in the Pre-Transition State also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Myosin VI Motor Domain in the Pre-Transition State (pdb code 5o2l). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Myosin VI Motor Domain in the Pre-Transition State, PDB code: 5o2l:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Myosin VI Motor Domain in the Pre-Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Myosin VI Motor Domain in the Pre-Transition State within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:52.6 occ:1.00 F1 A:BEF803 0.0 52.6 1.0 BE A:BEF803 1.6 51.2 1.0 F2 A:BEF803 2.5 52.6 1.0 F3 A:BEF803 2.5 48.2 1.0 O3B A:ADP801 2.6 39.8 1.0 OG A:SER203 2.8 40.6 1.0 ND2 A:ASN200 3.0 37.4 1.0 OG A:SER153 3.0 45.7 1.0 CA A:SER203 3.3 38.3 1.0 CB A:SER203 3.3 40.5 1.0 O A:HOH1066 3.5 49.2 0.9 N A:SER204 3.6 41.5 1.0 CB A:ASN200 3.7 40.3 1.0 CB A:SER153 3.8 40.8 1.0 CG A:ASN200 3.8 52.6 1.0 CA A:SER153 3.9 40.1 1.0 N A:GLY154 3.9 42.7 1.0 C A:SER203 3.9 43.7 1.0 PB A:ADP801 4.0 45.5 1.0 MG A:MG802 4.0 45.5 1.0 O A:HOH937 4.3 38.1 1.0 C A:SER153 4.3 45.1 1.0 N A:SER203 4.4 37.9 1.0 O1B A:ADP801 4.4 42.5 1.0 O A:HOH903 4.5 48.7 1.0 O A:SER204 4.7 43.6 1.0 O3A A:ADP801 4.7 45.8 1.0 O A:ASN202 4.8 43.1 1.0 CA A:SER204 4.8 41.7 1.0 OD1 A:ASN200 4.9 39.5 1.0 OG A:SER204 4.9 50.9 1.0 NH1 A:ARG205 4.9 43.7 1.0 O A:HOH902 4.9 39.9 1.0 O2B A:ADP801 4.9 44.2 1.0 C A:ASN202 5.0 43.3 1.0 CA A:GLY154 5.0 42.5 1.0

Fluorine binding site 2 out of 3 in the Myosin VI Motor Domain in the Pre-Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Myosin VI Motor Domain in the Pre-Transition State within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:52.6 occ:1.00 F2 A:BEF803 0.0 52.6 1.0 BE A:BEF803 1.5 51.2 1.0 MG A:MG802 1.7 45.5 1.0 O A:HOH902 2.5 39.9 1.0 O3B A:ADP801 2.5 39.8 1.0 F1 A:BEF803 2.5 52.6 1.0 F3 A:BEF803 2.5 48.2 1.0 O1B A:ADP801 2.7 42.5 1.0 OG A:SER204 2.9 50.9 1.0 O A:HOH937 3.0 38.1 1.0 PB A:ADP801 3.2 45.5 1.0 N A:SER204 3.2 41.5 1.0 CB A:SER204 3.3 44.6 1.0 OG1 A:THR158 3.6 44.3 1.0 CA A:SER204 3.8 41.7 1.0 ND2 A:ASN200 4.1 37.4 1.0 O A:HOH1066 4.1 49.2 0.9 O2B A:ADP801 4.2 44.2 1.0 C A:SER203 4.3 43.7 1.0 O A:SER204 4.3 43.6 1.0 O3A A:ADP801 4.3 45.8 1.0 CA A:SER203 4.3 38.3 1.0 NZ A:LYS157 4.4 40.0 1.0 OG A:SER203 4.4 40.6 1.0 CE A:LYS157 4.5 39.8 1.0 O1A A:ADP801 4.6 43.9 1.0 C A:SER204 4.6 45.9 1.0 CB A:THR158 4.6 45.0 1.0 O A:ASN202 4.7 43.1 1.0

Fluorine binding site 3 out of 3 in the Myosin VI Motor Domain in the Pre-Transition State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Myosin VI Motor Domain in the Pre-Transition State within 5.0Å range: probe atom residue distance (Å) B Occ A:F803 b:48.2 occ:1.00 F3 A:BEF803 0.0 48.2 1.0 BE A:BEF803 1.6 51.2 1.0 O A:HOH1066 1.8 49.2 0.9 F2 A:BEF803 2.5 52.6 1.0 F1 A:BEF803 2.5 52.6 1.0 O3B A:ADP801 3.5 39.8 1.0 O A:SER204 3.6 43.6 1.0 OG A:SER203 3.8 40.6 1.0 O A:HOH902 3.9 39.9 1.0 NZ A:LYS157 3.9 40.0 1.0 MG A:MG802 4.1 45.5 1.0 N A:SER204 4.1 41.5 1.0 CB A:SER153 4.2 40.8 1.0 OG A:SER153 4.2 45.7 1.0 CA A:SER153 4.2 40.1 1.0 CE A:LYS157 4.3 39.8 1.0 CB A:SER204 4.4 44.6 1.0 C A:SER204 4.5 45.9 1.0 CB A:ALA458 4.6 41.5 1.0 CA A:SER204 4.6 41.7 1.0 PB A:ADP801 4.7 45.5 1.0 CA A:ALA458 4.7 41.5 1.0 NH1 A:ARG205 4.7 43.7 1.0 O1B A:ADP801 4.7 42.5 1.0 OG A:SER204 4.7 50.9 1.0 O A:HOH1109 4.9 60.5 1.0 N A:SER153 5.0 40.3 1.0 CB A:SER203 5.0 40.5 1.0

F.Blanc, T.Isabet, H.Benisty, H.L.Sweeney, M.Cecchini, A.Houdusse. An Intermediate Along the Recovery Stroke of Myosin VI Revealed By X-Ray Crystallography and Molecular Dynamics. Proc. Natl. Acad. Sci. V. 115 6213 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 29844196
DOI: 10.1073/PNAS.1711512115