Fluorine in PDB 5he3: Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411

All present enzymatic activity of Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411:
2.7.11.15;

The structure of Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411, PDB code: 5he3 was solved by M.C.Cato, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.74
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.031, 239.412, 208.625, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 25.7

The structure of Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411 (pdb code 5he3). 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 Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411, PDB code: 5he3:

Fluorine binding site 1 out of 1 in the Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bovine GRK2 in Complex with Gbetagamma Subunits and CCG224411 within 5.0Å range: probe atom residue distance (Å) B Occ A:F702 b:0.3 occ:1.00 F A:FF1702 0.0 0.3 1.0 C16 A:FF1702 1.3 0.5 1.0 C11 A:FF1702 2.4 0.6 1.0 C15 A:FF1702 2.4 0.3 1.0 O A:FF1702 2.7 0.5 1.0 C10 A:FF1702 2.8 0.8 1.0 CD2 A:LEU222 3.4 56.5 1.0 N A:PHE202 3.5 80.9 1.0 C12 A:FF1702 3.6 0.9 1.0 C14 A:FF1702 3.7 0.5 1.0 N A:GLY203 3.7 74.3 1.0 N A:FF1702 3.9 0.5 1.0 CA A:GLY200 3.9 80.8 1.0 CB A:PHE202 3.9 86.0 1.0 N A:GLY201 4.0 88.3 1.0 CA A:PHE202 4.0 78.5 1.0 O A:GLY203 4.0 69.1 1.0 C A:GLY200 4.2 82.5 1.0 C13 A:FF1702 4.2 0.9 1.0 C A:PHE202 4.2 74.6 1.0 CD2 A:PHE202 4.2 97.0 1.0 N A:GLY200 4.3 81.1 1.0 C A:GLY203 4.5 70.3 1.0 C A:GLY201 4.5 88.9 1.0 CG A:PHE202 4.6 93.4 1.0 CA A:GLY203 4.6 72.5 1.0 CA A:GLY201 4.8 89.5 1.0 CG A:LEU222 4.8 56.8 1.0 C9 A:FF1702 4.9 0.4 1.0 NZ A:LYS220 4.9 73.6 1.0

H.V.Waldschmidt, K.T.Homan, O.Cruz-Rodriguez, M.C.Cato, J.Waninger-Saroni, K.M.Larimore, A.Cannavo, J.Song, J.Y.Cheung, P.D.Kirchhoff, W.J.Koch, J.J.Tesmer, S.D.Larsen. Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors. J.Med.Chem. V. 59 3793 2016.
ISSN: ISSN 0022-2623
PubMed: 27050625
DOI: 10.1021/ACS.JMEDCHEM.5B02000