Fluorine in PDB 4dbq: Myosin VI D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State

The structure of Myosin VI D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State, PDB code: 4dbq was solved by O.Pylypenko, H.L.Sweeney, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.98 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.310, 107.880, 179.950, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.4

The structure of Myosin VI D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	4 atoms

The binding sites of Fluorine atom in the Myosin VI D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State (pdb code 4dbq). 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 D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State, PDB code: 4dbq:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Myosin VI D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor 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 D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:35.6 occ:1.00 F1 A:BEF902 0.0 35.6 1.0 BE A:BEF902 1.4 34.2 1.0 F3 A:BEF902 2.2 35.6 1.0 F2 A:BEF902 2.2 37.1 1.0 O3B A:ADP901 2.3 33.4 1.0 NZ A:LYS157 2.9 33.1 1.0 PB A:ADP901 3.3 53.6 1.0 CA A:SER153 3.4 40.1 1.0 O A:HOH1002 3.6 37.2 1.0 CE A:LYS157 3.7 36.7 1.0 O1B A:ADP901 3.7 40.6 1.0 O2B A:ADP901 3.7 34.3 1.0 MG A:MG903 3.8 32.8 1.0 CB A:SER153 3.9 40.5 1.0 N A:GLY154 4.1 33.5 1.0 O A:GLU152 4.2 40.7 1.0 OG A:SER153 4.2 54.3 1.0 N A:SER153 4.2 43.1 1.0 C A:SER153 4.3 37.8 1.0 OG A:SER203 4.4 41.5 1.0 C A:GLU152 4.5 43.9 1.0 N A:SER204 4.6 41.1 1.0 CB A:ALA458 4.7 43.9 1.0 O A:SER204 4.7 38.2 1.0 O3A A:ADP901 4.7 38.4 1.0 CB A:SER204 4.8 36.3 1.0 ND2 A:ASN200 4.8 38.5 1.0 O A:HOH1001 4.9 36.2 1.0

Fluorine binding site 2 out of 3 in the Myosin VI D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor 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 D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:37.1 occ:1.00 F2 A:BEF902 0.0 37.1 1.0 BE A:BEF902 1.4 34.2 1.0 MG A:MG903 2.2 32.8 1.0 F3 A:BEF902 2.2 35.6 1.0 F1 A:BEF902 2.2 35.6 1.0 O3B A:ADP901 2.4 33.4 1.0 N A:SER204 2.7 41.1 1.0 O A:HOH1001 3.0 36.2 1.0 O2B A:ADP901 3.0 34.3 1.0 O A:HOH1002 3.2 37.2 1.0 PB A:ADP901 3.2 53.6 1.0 CB A:SER204 3.2 36.3 1.0 OG A:SER204 3.5 42.2 1.0 CA A:SER204 3.5 38.5 1.0 C A:SER203 3.7 45.2 1.0 CA A:SER203 3.7 40.8 1.0 ND2 A:ASN200 3.8 38.5 1.0 OG A:SER203 3.8 41.5 1.0 O A:SER204 4.0 38.2 1.0 C A:SER204 4.2 36.5 1.0 CB A:SER203 4.3 43.3 1.0 OG1 A:THR158 4.4 38.1 1.0 O1B A:ADP901 4.4 40.6 1.0 O2A A:ADP901 4.4 32.0 1.0 O A:ASN202 4.4 44.2 1.0 O3A A:ADP901 4.4 38.4 1.0 NZ A:LYS157 4.6 33.1 1.0 N A:SER203 4.8 47.2 1.0 O A:SER203 4.8 42.6 1.0 CG A:ASN200 5.0 41.8 1.0 OG A:SER153 5.0 54.3 1.0

Fluorine binding site 3 out of 3 in the Myosin VI D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor 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 D179Y (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State within 5.0Å range: probe atom residue distance (Å) B Occ A:F902 b:35.6 occ:1.00 F3 A:BEF902 0.0 35.6 1.0 BE A:BEF902 1.4 34.2 1.0 F2 A:BEF902 2.2 37.1 1.0 F1 A:BEF902 2.2 35.6 1.0 O3B A:ADP901 2.5 33.4 1.0 OG A:SER203 2.6 41.5 1.0 OG A:SER153 2.8 54.3 1.0 CB A:SER153 3.3 40.5 1.0 CB A:SER203 3.3 43.3 1.0 ND2 A:ASN200 3.4 38.5 1.0 CA A:SER203 3.4 40.8 1.0 CA A:SER153 3.4 40.1 1.0 N A:GLY154 3.7 33.5 1.0 N A:SER204 3.7 41.1 1.0 PB A:ADP901 4.0 53.6 1.0 CB A:ASN200 4.0 40.3 1.0 C A:SER153 4.0 37.8 1.0 C A:SER203 4.1 45.2 1.0 O A:HOH1332 4.1 46.6 1.0 CG A:ASN200 4.2 41.8 1.0 MG A:MG903 4.4 32.8 1.0 O A:SER204 4.5 38.2 1.0 O2B A:ADP901 4.5 34.3 1.0 NH1 A:ARG205 4.6 44.0 1.0 O A:HOH1001 4.6 36.2 1.0 N A:SER203 4.6 47.2 1.0 N A:SER153 4.7 43.1 1.0 CA A:SER204 4.8 38.5 1.0 O1B A:ADP901 4.9 40.6 1.0 CA A:GLY154 4.9 36.1 1.0 O3A A:ADP901 4.9 38.4 1.0 NZ A:LYS157 4.9 33.1 1.0

L.Song, O.Pylypenko, Z.Yang, A.Houdusse, L.H.Sweeney. Mutations in Myosin VI That Cause A Loss of Coordination Between Heads Provide Insights Into the Structural Changes Underlying Force Generation and the Importance of Gating To Be Published.