Fluorine in PDB 2vb6: Myosin VI (Md-INSERT2-Cam, Delta INSERT1) Post-Rigor State ( Crystal Form 2)

The structure of Myosin VI (Md-INSERT2-Cam, Delta INSERT1) Post-Rigor State ( Crystal Form 2), PDB code: 2vb6 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)	46.18 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.310, 107.590, 178.300, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25.3

The structure of Myosin VI (Md-INSERT2-Cam, Delta INSERT1) Post-Rigor State ( Crystal Form 2) 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 ( Crystal Form 2) (pdb code 2vb6). 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 ( Crystal Form 2), PDB code: 2vb6:
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 ( Crystal Form 2)


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 ( Crystal Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:22.4 occ:1.00 F1 A:BEF999 0.0 22.4 1.0 BE A:BEF999 1.7 22.4 1.0 O2B A:ADP998 2.7 18.1 1.0 NZ A:LYS157 2.7 17.6 1.0 F2 A:BEF999 2.9 24.1 1.0 F3 A:BEF999 3.0 25.6 1.0 CA A:SER153 3.3 21.5 1.0 CE A:LYS157 3.3 17.3 1.0 PB A:ADP998 3.7 17.4 1.0 OG A:SER153 3.7 24.2 1.0 O A:HOH1002 3.7 19.8 1.0 CB A:SER153 3.8 21.9 1.0 N A:SER153 3.9 21.1 1.0 CB A:ALA458 4.0 26.3 1.0 O A:GLU152 4.1 21.1 1.0 O3B A:ADP998 4.1 18.7 1.0 O1B A:ADP998 4.1 19.1 1.0 N A:GLY154 4.2 20.3 1.0 MG A:MG1000 4.2 24.1 1.0 C A:GLU152 4.3 21.2 1.0 C A:SER153 4.3 21.3 1.0 CA A:ALA458 4.6 25.8 1.0 OG A:SER203 4.6 21.8 1.0 O A:HOH2105 4.7 32.7 1.0 O A:SER204 4.8 20.5 1.0 CD A:LYS157 4.8 16.2 1.0 N A:ALA458 4.9 25.4 1.0 O A:GLY151 4.9 19.8 1.0

Fluorine binding site 2 out of 3 in the Myosin VI (Md-INSERT2-Cam, Delta INSERT1) Post-Rigor State ( Crystal Form 2)


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 ( Crystal Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:24.1 occ:1.00 F2 A:BEF999 0.0 24.1 1.0 BE A:BEF999 1.7 22.4 1.0 MG A:MG1000 1.9 24.1 1.0 OG A:SER204 2.5 16.3 1.0 O A:HOH1002 2.7 19.8 1.0 N A:SER204 2.8 19.9 1.0 O A:HOH1001 2.8 13.4 1.0 O2B A:ADP998 2.8 18.1 1.0 F1 A:BEF999 2.9 22.4 1.0 F3 A:BEF999 2.9 25.6 1.0 O1B A:ADP998 3.0 19.1 1.0 CB A:SER204 3.0 18.9 1.0 CA A:SER204 3.4 19.3 1.0 PB A:ADP998 3.5 17.4 1.0 OG1 A:THR158 3.8 20.9 1.0 C A:SER203 3.8 20.7 1.0 O A:SER204 3.9 20.5 1.0 CA A:SER203 4.0 21.2 1.0 ND2 A:ASN200 4.1 23.1 1.0 OG A:SER203 4.1 21.8 1.0 C A:SER204 4.2 19.8 1.0 O A:ASN202 4.5 23.3 1.0 O3A A:ADP998 4.6 18.9 1.0 O2A A:ADP998 4.6 19.0 1.0 O3B A:ADP998 4.6 18.7 1.0 CB A:SER203 4.7 21.3 1.0 NZ A:LYS157 4.7 17.6 1.0 CE A:LYS157 4.9 17.3 1.0 CB A:THR158 4.9 20.0 1.0 O A:SER203 5.0 21.0 1.0

Fluorine binding site 3 out of 3 in the Myosin VI (Md-INSERT2-Cam, Delta INSERT1) Post-Rigor State ( Crystal Form 2)


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 ( Crystal Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F999 b:25.6 occ:1.00 F3 A:BEF999 0.0 25.6 1.0 BE A:BEF999 1.7 22.4 1.0 OG A:SER203 2.3 21.8 1.0 O2B A:ADP998 2.8 18.1 1.0 F2 A:BEF999 2.9 24.1 1.0 F1 A:BEF999 3.0 22.4 1.0 CB A:SER203 3.1 21.3 1.0 ND2 A:ASN200 3.1 23.1 1.0 CA A:SER203 3.2 21.2 1.0 CB A:SER153 3.4 21.9 1.0 CB A:ASN200 3.5 23.6 1.0 CA A:SER153 3.6 21.5 1.0 N A:GLY154 3.7 20.3 1.0 O A:HOH2075 3.8 19.9 1.0 N A:SER204 3.8 19.9 1.0 CG A:ASN200 3.8 23.5 1.0 OG A:SER153 4.0 24.2 1.0 C A:SER153 4.0 21.3 1.0 C A:SER203 4.0 20.7 1.0 PB A:ADP998 4.2 17.4 1.0 N A:SER203 4.4 22.1 1.0 O A:SER204 4.6 20.5 1.0 O A:HOH1001 4.7 13.4 1.0 NH1 A:ARG205 4.7 18.6 1.0 MG A:MG1000 4.7 24.1 1.0 CA A:GLY154 4.7 18.7 1.0 O1B A:ADP998 4.8 19.1 1.0 CA A:ASN200 4.9 24.2 1.0 O3A A:ADP998 4.9 18.9 1.0 CA A:SER204 4.9 19.3 1.0 N A:SER153 4.9 21.1 1.0 O A:ASN202 5.0 23.3 1.0 OD1 A:ASN200 5.0 22.6 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