Fluorine in PDB 4ujb: Protein Kinase A in Complex with An Inhibitor

All present enzymatic activity of Protein Kinase A in Complex with An Inhibitor:
2.7.11.11;

The structure of Protein Kinase A in Complex with An Inhibitor, PDB code: 4ujb was solved by K.A.Alam, R.A.Engh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.83 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.620, 75.371, 80.349, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 19

The binding sites of Fluorine atom in the Protein Kinase A in Complex with An Inhibitor (pdb code 4ujb). 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 Protein Kinase A in Complex with An Inhibitor, PDB code: 4ujb:

Fluorine binding site 1 out of 1 in the Protein Kinase A in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Protein Kinase A in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1351 b:28.8 occ:1.00 F01 A:8BQ1351 0.0 28.8 1.0 C02 A:8BQ1351 1.3 22.6 1.0 C03 A:8BQ1351 2.3 19.1 1.0 C07 A:8BQ1351 2.4 16.1 1.0 H03 A:8BQ1351 2.5 22.9 1.0 H07 A:8BQ1351 2.6 19.4 1.0 O A:HOH2120 2.8 28.8 1.0 NZ A:LYS72 2.9 26.1 1.0 O A:HOH2046 3.1 36.0 1.0 O A:HOH2119 3.2 23.3 1.0 O A:HOH2033 3.4 37.9 1.0 C04 A:8BQ1351 3.6 17.2 1.0 C06 A:8BQ1351 3.6 15.7 1.0 CD A:LYS72 3.9 27.2 1.0 CE A:LYS72 4.0 26.2 1.0 C05 A:8BQ1351 4.1 16.7 1.0 O A:HOH2118 4.1 21.4 1.0 OD1 A:ASP184 4.3 28.2 1.0 H04 A:8BQ1351 4.4 20.6 1.0 H11 A:8BQ1351 4.4 23.5 1.0 H10 A:8BQ1351 4.5 16.6 1.0 O A:HOH2100 4.5 21.5 1.0 O A:HOH2096 4.7 31.4 1.0 C08 A:8BQ1351 4.8 17.1 1.0 CG A:ASP184 4.8 27.0 1.0

B.S.Lauber, L.A.Hardegger, A.K.Asraful, B.A.Lund, O.Dumele, M.Harder, B.Kuhn, R.A.Engh, F.Diederich. Addressing the Glycine-Rich Loop of Protein Kinases By A Multi-Facetted Interaction Network: Inhibition of Pka and A Pkb Mimic. Chemistry V. 22 211 2016.
ISSN: ISSN 0947-6539
PubMed: 26578105
DOI: 10.1002/CHEM.201503552