Fluorine in PDB 5m05: Chicken Smooth Muscle Myosin Motor Domain Co-Crystallized with the Specific Ck-571 Inhibitor, Mgadp Form

The structure of Chicken Smooth Muscle Myosin Motor Domain Co-Crystallized with the Specific Ck-571 Inhibitor, Mgadp Form, PDB code: 5m05 was solved by S.Sirigu, J.Hartman, A.Houdusse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.68 / 2.68
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.190, 202.970, 67.560, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 24.4

The structure of Chicken Smooth Muscle Myosin Motor Domain Co-Crystallized with the Specific Ck-571 Inhibitor, Mgadp Form also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Chicken Smooth Muscle Myosin Motor Domain Co-Crystallized with the Specific Ck-571 Inhibitor, Mgadp Form (pdb code 5m05). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Chicken Smooth Muscle Myosin Motor Domain Co-Crystallized with the Specific Ck-571 Inhibitor, Mgadp Form, PDB code: 5m05:

Fluorine binding site 1 out of 1 in the Chicken Smooth Muscle Myosin Motor Domain Co-Crystallized with the Specific Ck-571 Inhibitor, Mgadp Form


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Chicken Smooth Muscle Myosin Motor Domain Co-Crystallized with the Specific Ck-571 Inhibitor, Mgadp Form within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:38.6 occ:1.00 F35 A:52E901 0.0 38.6 1.0 C5 A:52E901 1.3 27.9 1.0 C7 A:52E901 2.3 29.1 1.0 C6 A:52E901 2.4 31.3 1.0 CL1 A:52E901 3.0 47.1 1.0 CG1 A:VAL710 3.2 12.6 1.0 C8 A:52E901 3.6 28.5 1.0 C10 A:52E901 3.6 30.1 1.0 CG1 A:ILE714 3.9 20.7 1.0 CD1 A:ILE714 3.9 17.0 1.0 OG A:SER117 4.0 37.0 1.0 CG2 A:VAL100 4.1 15.4 1.0 C9 A:52E901 4.1 25.6 1.0 CG1 A:VAL100 4.2 14.5 1.0 O A:VAL710 4.3 26.5 1.0 CB A:SER117 4.3 30.8 1.0 CB A:VAL710 4.5 20.2 1.0 CZ A:PHE120 4.5 21.5 1.0 CB A:VAL100 4.7 17.3 1.0 CG2 A:VAL710 4.8 17.4 1.0 C A:VAL710 4.9 22.5 1.0 CA A:VAL710 4.9 20.9 1.0 C11 A:52E901 4.9 33.5 1.0 CE1 A:PHE120 5.0 23.0 1.0

S.Sirigu, J.J.Hartman, V.J.Planelles-Herrero, V.Ropars, S.Clancy, X.Wang, G.Chuang, X.Qian, P.P.Lu, E.Barrett, K.Rudolph, C.Royer, B.P.Morgan, E.A.Stura, F.I.Malik, A.M.Houdusse. Highly Selective Inhibition of Myosin Motors Provides the Basis of Potential Therapeutic Application. Proc. Natl. Acad. Sci. V. 113 E7448 2016U.S.A..
ISSN: ESSN 1091-6490
PubMed: 27815532
DOI: 10.1073/PNAS.1609342113