Fluorine in PDB 4anj: Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4)

The structure of Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4), PDB code: 4anj was solved by J.Menetrey, T.Isabet, V.Ropars, M.Mukherjea, O.Pylypenko, X.Liu, J.Perez, P.Vachette, H.L.Sweeney, A.M.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	137.36 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	193.093, 62.657, 156.040, 90.00, 117.96, 90.00
R / Rfree (%)	23.9 / 28.8

The structure of Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4) also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom
Calcium	(Ca)	3 atoms

The binding sites of Fluorine atom in the Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4) (pdb code 4anj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4), PDB code: 4anj:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F2232 b:13.6 occ:1.00 F1 A:ALF2232 0.0 13.6 1.0 AL A:ALF2232 1.8 13.8 1.0 MG A:MG2231 2.0 3.2 1.0 O A:HOH2034 2.5 3.1 1.0 F2 A:ALF2232 2.5 13.0 1.0 F3 A:ALF2232 2.5 13.6 1.0 N A:SER204 2.7 9.5 1.0 OG A:SER204 2.7 9.4 1.0 O1B A:ADP2230 2.7 2.6 1.0 O3B A:ADP2230 2.9 4.0 1.0 O A:HOH2035 3.2 4.9 1.0 CB A:SER204 3.3 9.1 1.0 PB A:ADP2230 3.3 3.8 1.0 CA A:SER204 3.5 9.3 1.0 F4 A:ALF2232 3.6 14.0 1.0 ND2 A:ASN200 3.6 10.0 1.0 C A:SER203 3.7 9.5 1.0 CA A:SER203 3.7 9.4 1.0 O A:SER204 4.0 9.6 1.0 OG1 A:THR158 4.0 9.8 1.0 OG A:SER203 4.1 9.2 1.0 O3A A:ADP2230 4.2 3.6 1.0 C A:SER204 4.3 9.3 1.0 O A:ASN202 4.3 9.9 1.0 O1A A:ADP2230 4.4 5.4 1.0 CB A:SER203 4.5 9.2 1.0 O2B A:ADP2230 4.7 2.8 1.0 N A:SER203 4.8 9.5 1.0 O A:SER203 4.8 9.8 1.0 CG A:ASN200 4.8 10.8 1.0 PA A:ADP2230 4.9 4.1 1.0 C A:ASN202 4.9 9.8 1.0 CB A:THR158 4.9 10.5 1.0 NZ A:LYS157 5.0 8.0 1.0

Fluorine binding site 2 out of 4 in the Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F2232 b:13.0 occ:1.00 F2 A:ALF2232 0.0 13.0 1.0 AL A:ALF2232 1.8 13.8 1.0 F4 A:ALF2232 2.5 14.0 1.0 F1 A:ALF2232 2.5 13.6 1.0 O A:HOH2035 2.6 4.9 1.0 O1B A:ADP2230 2.6 2.6 1.0 NZ A:LYS157 2.8 8.0 1.0 N A:GLY459 2.9 11.0 1.0 MG A:MG2231 3.0 3.2 1.0 CE A:LYS157 3.1 9.1 1.0 O3B A:ADP2230 3.2 4.0 1.0 PB A:ADP2230 3.2 3.8 1.0 O A:ILE457 3.4 10.8 1.0 F3 A:ALF2232 3.6 13.6 1.0 CA A:ALA458 3.7 10.8 1.0 C A:ALA458 3.7 10.8 1.0 CA A:GLY459 3.7 11.5 1.0 O2B A:ADP2230 3.9 2.8 1.0 C A:ILE457 4.3 10.8 1.0 OG A:SER204 4.3 9.4 1.0 N A:ALA458 4.4 10.8 1.0 O A:HOH2056 4.5 10.1 1.0 O A:HOH2034 4.5 3.1 1.0 CB A:SER204 4.6 9.1 1.0 CD A:LYS157 4.6 9.7 1.0 OD1 A:ASP456 4.7 11.4 1.0 O3A A:ADP2230 4.7 3.6 1.0 O A:ALA458 4.8 10.8 1.0 CB A:ALA458 4.8 11.0 1.0 OG1 A:THR158 4.8 9.8 1.0 O A:SER204 4.8 9.6 1.0 CB A:LYS157 4.9 10.0 1.0 N A:SER204 4.9 9.5 1.0

Fluorine binding site 3 out of 4 in the Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F2232 b:13.6 occ:1.00 F3 A:ALF2232 0.0 13.6 1.0 AL A:ALF2232 1.8 13.8 1.0 F4 A:ALF2232 2.5 14.0 1.0 F1 A:ALF2232 2.5 13.6 1.0 O1B A:ADP2230 2.7 2.6 1.0 OG A:SER203 2.8 9.2 1.0 ND2 A:ASN200 2.9 10.0 1.0 OG A:SER153 3.0 11.9 1.0 CA A:SER203 3.3 9.4 1.0 CB A:SER203 3.3 9.2 1.0 CB A:ASN200 3.5 10.9 1.0 F2 A:ALF2232 3.6 13.0 1.0 CG A:ASN200 3.7 10.8 1.0 N A:SER204 3.8 9.5 1.0 N A:GLY154 3.9 12.2 1.0 PB A:ADP2230 4.0 3.8 1.0 C A:SER203 4.1 9.5 1.0 CB A:SER153 4.2 12.2 1.0 O A:HOH2056 4.2 10.1 1.0 O A:HOH2033 4.2 8.3 1.0 CA A:SER153 4.3 12.2 1.0 O A:HOH2034 4.4 3.1 1.0 MG A:MG2231 4.4 3.2 1.0 N A:SER203 4.4 9.5 1.0 O3A A:ADP2230 4.5 3.6 1.0 O3B A:ADP2230 4.5 4.0 1.0 C A:SER153 4.5 12.2 1.0 O A:SER204 4.6 9.6 1.0 CA A:GLY154 4.7 12.0 1.0 OD1 A:ASN200 4.8 10.7 1.0 CA A:SER204 5.0 9.3 1.0 CA A:ASN200 5.0 11.1 1.0 O A:ASN202 5.0 9.9 1.0

Fluorine binding site 4 out of 4 in the Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Myosin VI (MDINSERT2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.ALF4) within 5.0Å range: probe atom residue distance (Å) B Occ A:F2232 b:14.0 occ:1.00 F4 A:ALF2232 0.0 14.0 1.0 AL A:ALF2232 1.8 13.8 1.0 F3 A:ALF2232 2.5 13.6 1.0 F2 A:ALF2232 2.5 13.0 1.0 O1B A:ADP2230 2.5 2.6 1.0 CA A:SER153 2.8 12.2 1.0 OG A:SER153 2.9 11.9 1.0 N A:GLY459 3.0 11.0 1.0 CA A:GLY459 3.1 11.5 1.0 CB A:SER153 3.1 12.2 1.0 O A:HOH2056 3.2 10.1 1.0 NZ A:LYS157 3.4 8.0 1.0 N A:GLY154 3.5 12.2 1.0 F1 A:ALF2232 3.6 13.6 1.0 C A:SER153 3.6 12.2 1.0 N A:SER153 3.7 12.2 1.0 O A:GLY459 3.8 12.0 1.0 C A:GLY459 3.8 12.0 1.0 PB A:ADP2230 3.9 3.8 1.0 O A:GLU152 4.1 12.5 1.0 C A:GLU152 4.2 12.5 1.0 C A:ALA458 4.2 10.8 1.0 CE A:LYS157 4.5 9.1 1.0 O2B A:ADP2230 4.5 2.8 1.0 O3B A:ADP2230 4.7 4.0 1.0 OG A:SER203 4.7 9.2 1.0 CA A:ALA458 4.8 10.8 1.0 CA A:GLY154 4.8 12.0 1.0 O A:HOH2033 4.8 8.3 1.0 ND2 A:ASN200 4.8 10.0 1.0 O A:SER153 4.8 12.3 1.0 MG A:MG2231 4.9 3.2 1.0 O3A A:ADP2230 4.9 3.6 1.0 N A:PHE460 5.0 12.2 1.0

J.Menetrey, T.Isabet, V.Ropars, M.Mukherjea, O.Pylypenko, X.Liu, J.Perez, P.Vachette, H.L.Sweeney, A.M.Houdusse. Processive Steps in the Reverse Direction Require Uncoupling of the Lead Head Lever Arm of Myosin VI. Mol.Cell V. 48 75 2012.
ISSN: ISSN 1097-2765
PubMed: 22940248
DOI: 10.1016/J.MOLCEL.2012.07.034