Fluorine in PDB 6c2y: Human GRK2 in Complex with Gbetagamma Subunits and CCG257142

All present enzymatic activity of Human GRK2 in Complex with Gbetagamma Subunits and CCG257142:
2.7.11.15;

The structure of Human GRK2 in Complex with Gbetagamma Subunits and CCG257142, PDB code: 6c2y was solved by R.Bouley, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.32 / 2.74
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.557, 240.453, 212.796, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 29.2

The binding sites of Fluorine atom in the Human GRK2 in Complex with Gbetagamma Subunits and CCG257142 (pdb code 6c2y). 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 Human GRK2 in Complex with Gbetagamma Subunits and CCG257142, PDB code: 6c2y:

Fluorine binding site 1 out of 1 in the Human GRK2 in Complex with Gbetagamma Subunits and CCG257142


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human GRK2 in Complex with Gbetagamma Subunits and CCG257142 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:56.8 occ:1.00 F26 A:EJS701 0.0 56.8 1.0 C25 A:EJS701 1.4 56.3 1.0 C12 A:EJS701 2.4 57.0 1.0 C27 A:EJS701 2.4 55.2 1.0 O24 A:EJS701 2.6 63.4 1.0 C13 A:EJS701 2.9 58.4 1.0 O A:GLY203 2.9 58.8 1.0 N A:GLY203 3.1 60.6 1.0 CD2 A:LEU222 3.1 55.2 1.0 C A:GLY203 3.2 58.2 1.0 CA A:GLY203 3.5 59.3 1.0 C11 A:EJS701 3.6 56.6 1.0 C28 A:EJS701 3.6 54.9 1.0 C A:PHE202 3.8 61.4 1.0 N A:PHE202 4.0 63.5 1.0 CA A:GLY200 4.0 61.5 1.0 N A:GLU204 4.1 56.8 1.0 N A:GLY200 4.1 60.6 1.0 C10 A:EJS701 4.1 55.5 1.0 CE A:LYS220 4.2 51.7 1.0 N14 A:EJS701 4.3 58.8 1.0 CA A:PHE202 4.3 63.0 1.0 C A:GLY200 4.3 63.6 1.0 CB A:PHE202 4.5 62.0 1.0 O A:PHE202 4.6 61.0 1.0 N A:GLY201 4.6 81.2 1.0 N17 A:EJS701 4.6 72.6 1.0 CG A:LEU222 4.6 54.2 1.0 CA A:GLU204 4.7 55.9 1.0 O A:GLY200 4.8 64.7 1.0 CG A:LYS220 5.0 50.1 1.0 C A:ARG199 5.0 59.8 1.0

H.V.Waldschmidt, R.Bouley, P.D.Kirchhoff, P.Lee, J.J.G.Tesmer, S.D.Larsen. Utilizing A Structure-Based Docking Approach to Develop Potent G Protein-Coupled Receptor Kinase (Grk) 2 and 5 Inhibitors. Bioorg. Med. Chem. Lett. V. 28 1507 2018.
ISSN: ESSN 1464-3405
PubMed: 29627263
DOI: 10.1016/J.BMCL.2018.03.082