Fluorine in PDB 4pnk: G Protein-Coupled Receptor Kinase 2 in Complex with GSK180736A

All present enzymatic activity of G Protein-Coupled Receptor Kinase 2 in Complex with GSK180736A:
2.7.11.15;

The structure of G Protein-Coupled Receptor Kinase 2 in Complex with GSK180736A, PDB code: 4pnk was solved by K.T.Homan, K.M.Larimore, J.Elkins, S.Knapp, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.55 / 2.56
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	61.435, 241.398, 212.526, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 25.9

The binding sites of Fluorine atom in the G Protein-Coupled Receptor Kinase 2 in Complex with GSK180736A (pdb code 4pnk). 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 G Protein-Coupled Receptor Kinase 2 in Complex with GSK180736A, PDB code: 4pnk:

Fluorine binding site 1 out of 1 in the G Protein-Coupled Receptor Kinase 2 in Complex with GSK180736A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of G Protein-Coupled Receptor Kinase 2 in Complex with GSK180736A within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:0.6 occ:1.00 FBA A:KZQ701 0.0 0.6 1.0 CAX A:KZQ701 1.3 99.1 1.0 CAW A:KZQ701 2.3 0.9 1.0 CAY A:KZQ701 2.3 99.7 1.0 O A:GLY200 2.8 0.3 1.0 CD2 A:LEU222 3.5 86.9 1.0 CAV A:KZQ701 3.6 0.8 1.0 CAZ A:KZQ701 3.6 0.4 1.0 C A:GLY203 3.8 0.1 1.0 O A:GLY203 3.9 99.8 1.0 C A:GLY200 3.9 0.1 1.0 CD A:LYS220 3.9 77.7 1.0 N A:GLU204 4.0 92.6 1.0 CG A:LYS220 4.0 76.9 1.0 CAU A:KZQ701 4.1 0.6 1.0 N A:GLY203 4.1 0.1 1.0 CA A:GLY203 4.2 0.5 1.0 CE A:LYS220 4.3 80.5 1.0 N A:PHE202 4.5 0.8 1.0 N A:GLY200 4.6 0.1 1.0 CA A:GLU204 4.6 93.7 1.0 O A:GLU204 4.6 77.2 1.0 CG2 A:VAL205 4.7 85.1 1.0 CA A:GLY200 4.7 0.9 1.0 C A:GLU204 4.7 84.9 1.0 C A:PHE202 4.8 0.7 1.0 N A:GLY201 4.8 0.1 1.0 CG A:LEU222 4.9 85.0 1.0 NZ A:LYS220 4.9 81.4 1.0

K.T.Homan, K.M.Larimore, J.M.Elkins, M.Sklarz, S.Knapp, J.J.Tesmer. Identification and Structure-Function Analysis of Sub-Family Selective G Protein-Coupled Receptor Kinase Inhibitors. Acs Chem.Biol. 2014.
ISSN: ESSN 1554-8937
PubMed: 25238254
DOI: 10.1021/CB5006323