Fluorine in PDB 2vas: Myosin VI (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State

The structure of Myosin VI (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State, PDB code: 2vas was solved by J.Menetrey, P.Llinas, J.Cicolari, G.Squires, X.Liu, A.Li, H.L.Sweeney, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.28 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.420, 100.470, 174.070, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.6

The structure of Myosin VI (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 (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State (pdb code 2vas). 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 (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State, PDB code: 2vas:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Myosin VI (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 (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:17.9 occ:1.00 F1 A:BEF999 0.0 17.9 1.0 BE A:BEF999 1.7 17.3 1.0 NZ A:LYS157 2.7 9.3 1.0 O2B A:ADP998 2.8 12.5 1.0 F3 A:BEF999 2.9 18.0 1.0 F2 A:BEF999 3.0 20.0 1.0 CA A:SER153 3.3 14.3 1.0 CE A:LYS157 3.6 10.5 1.0 PB A:ADP998 3.6 12.5 1.0 CB A:SER153 3.8 14.3 1.0 O3B A:ADP998 3.8 12.4 1.0 N A:SER153 3.9 14.7 1.0 O A:HOH1002 4.0 10.3 1.0 O1B A:ADP998 4.0 12.1 1.0 OG A:SER153 4.1 16.3 1.0 O A:GLU152 4.2 15.6 1.0 N A:GLY154 4.2 13.6 1.0 C A:GLU152 4.3 15.2 1.0 C A:SER153 4.3 13.9 1.0 MG A:MG1000 4.3 16.8 1.0 CB A:ALA458 4.4 21.1 1.0 O A:SER204 4.7 15.7 1.0 CA A:ALA458 4.8 21.3 1.0 OG A:SER203 4.9 14.5 1.0 N A:SER204 4.9 15.4 1.0 CB A:SER204 5.0 14.9 1.0

Fluorine binding site 2 out of 3 in the Myosin VI (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 (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:20.0 occ:1.00 F2 A:BEF999 0.0 20.0 1.0 BE A:BEF999 1.8 17.3 1.0 MG A:MG1000 1.8 16.8 1.0 OG A:SER204 2.6 13.0 1.0 O1B A:ADP998 2.7 12.1 1.0 O A:HOH1001 2.7 11.6 1.0 O2B A:ADP998 2.8 12.5 1.0 N A:SER204 2.8 15.4 1.0 O A:HOH1002 2.8 10.3 1.0 F1 A:BEF999 3.0 17.9 1.0 F3 A:BEF999 3.0 18.0 1.0 CB A:SER204 3.0 14.9 1.0 PB A:ADP998 3.2 12.5 1.0 CA A:SER204 3.5 14.8 1.0 OG1 A:THR158 3.8 12.9 1.0 C A:SER203 3.9 15.5 1.0 ND2 A:ASN200 3.9 14.5 1.0 CA A:SER203 4.0 15.0 1.0 O2A A:ADP998 4.2 12.8 1.0 O A:SER204 4.3 15.7 1.0 O A:ASN202 4.3 15.0 1.0 O3B A:ADP998 4.4 12.4 1.0 O3A A:ADP998 4.4 10.8 1.0 C A:SER204 4.4 15.2 1.0 OG A:SER203 4.6 14.5 1.0 NZ A:LYS157 4.6 9.3 1.0 CB A:THR158 4.7 14.2 1.0 CB A:SER203 4.9 15.0 1.0 PA A:ADP998 4.9 11.9 1.0 O A:SER203 5.0 15.3 1.0 CE A:LYS157 5.0 10.5 1.0

Fluorine binding site 3 out of 3 in the Myosin VI (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 (Md-INSERT2-Cam, Delta-INSERT1) Post-Rigor State within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:18.0 occ:1.00 F3 A:BEF999 0.0 18.0 1.0 BE A:BEF999 1.7 17.3 1.0 O2B A:ADP998 2.6 12.5 1.0 OG A:SER153 2.7 16.3 1.0 ND2 A:ASN200 2.7 14.5 1.0 OG A:SER203 2.9 14.5 1.0 F1 A:BEF999 2.9 17.9 1.0 F2 A:BEF999 3.0 20.0 1.0 CA A:SER203 3.2 15.0 1.0 CB A:SER203 3.2 15.0 1.0 CB A:ASN200 3.4 16.0 1.0 CG A:ASN200 3.5 15.1 1.0 N A:GLY154 3.5 13.6 1.0 CB A:SER153 3.6 14.3 1.0 CA A:SER153 3.7 14.3 1.0 N A:SER204 3.8 15.4 1.0 C A:SER203 4.0 15.5 1.0 C A:SER153 4.0 13.9 1.0 PB A:ADP998 4.0 12.5 1.0 N A:SER203 4.3 15.5 1.0 O A:HOH2045 4.5 12.9 1.0 CA A:GLY154 4.5 12.8 1.0 O A:HOH1001 4.5 11.6 1.0 O1B A:ADP998 4.6 12.1 1.0 OD1 A:ASN200 4.7 14.8 1.0 MG A:MG1000 4.7 16.8 1.0 O A:ASN202 4.8 15.0 1.0 O3A A:ADP998 4.8 10.8 1.0 O A:SER204 4.9 15.7 1.0 CA A:ASN200 4.9 16.4 1.0 C A:ASN202 4.9 15.0 1.0 CA A:SER204 5.0 14.8 1.0 O3B A:ADP998 5.0 12.4 1.0 O2A A:ADP998 5.0 12.8 1.0 N A:SER153 5.0 14.7 1.0

J.Menetrey, P.Llinas, J.Cicolari, G.Squires, X.Liu, A.Li, H.L.Sweeney, A.Houdusse. The Post-Rigor Structure of Myosin VI and Implications For the Recovery Stroke. Embo J. V. 27 244 2008.
ISSN: ISSN 0261-4189
PubMed: 18046460
DOI: 10.1038/SJ.EMBOJ.7601937