Fluorine in PDB 6u7c: Human GRK2 in Complex with Gbetagamma Subunits and CCG258747

All present enzymatic activity of Human GRK2 in Complex with Gbetagamma Subunits and CCG258747:
2.7.11.15;

The structure of Human GRK2 in Complex with Gbetagamma Subunits and CCG258747, PDB code: 6u7c 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)	29.90 / 2.44
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.633, 240.610, 214.576, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 26.2

The structure of Human GRK2 in Complex with Gbetagamma Subunits and CCG258747 also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Human GRK2 in Complex with Gbetagamma Subunits and CCG258747 (pdb code 6u7c). 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 CCG258747, PDB code: 6u7c:

Fluorine binding site 1 out of 1 in the Human GRK2 in Complex with Gbetagamma Subunits and CCG258747


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 CCG258747 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:0.1 occ:1.00 F01 A:Q1Y701 0.0 0.1 1.0 C02 A:Q1Y701 1.4 85.8 1.0 C24 A:Q1Y701 2.4 84.5 1.0 C03 A:Q1Y701 2.4 83.5 1.0 O37 A:Q1Y701 2.7 84.0 1.0 C25 A:Q1Y701 2.8 87.8 1.0 C A:GLY203 3.0 81.1 1.0 O A:GLY203 3.0 88.1 1.0 N A:GLY203 3.2 83.4 1.0 CA A:GLY203 3.3 78.6 1.0 N A:GLU204 3.5 73.8 1.0 CD2 A:LEU222 3.6 73.0 1.0 C23 A:Q1Y701 3.6 82.4 1.0 C04 A:Q1Y701 3.6 79.4 1.0 N26 A:Q1Y701 4.1 89.3 1.0 CA A:GLY200 4.1 80.5 1.0 N A:GLY200 4.1 83.0 1.0 C A:PHE202 4.1 86.9 1.0 C05 A:Q1Y701 4.1 79.0 1.0 CA A:GLU204 4.2 69.5 1.0 CE A:LYS220 4.4 84.3 1.0 O A:CYS221 4.5 88.7 1.0 C A:GLU204 4.6 65.7 1.0 C A:GLY200 4.7 92.2 1.0 N A:PHE202 4.7 99.6 1.0 CG A:LYS220 4.7 68.5 1.0 O A:GLU204 4.8 68.9 1.0 CA A:PHE202 4.8 96.5 1.0 O A:PHE202 4.8 93.8 1.0 C27 A:Q1Y701 5.0 94.7 1.0 CB A:PHE202 5.0 95.3 1.0

R.A.Bouley, Z.Y.Weinberg, H.V.Waldschmidt, Y.C.Yen, S.D.Larsen, M.A.Puthenveedu, J.J.G.Tesmer. A New Paroxetine-Based GRK2 Inhibitor Reduces Internalization of the Mu-Opioid Receptor. Mol.Pharmacol. 2020.
ISSN: ESSN 1521-0111
PubMed: 32234810
DOI: 10.1124/MOL.119.118661