Fluorine in PDB 5xgh: Crystal Structure of PI3K Complex with An Inhibitor

All present enzymatic activity of Crystal Structure of PI3K Complex with An Inhibitor:
2.7.1.153; 2.7.11.1;

The structure of Crystal Structure of PI3K Complex with An Inhibitor, PDB code: 5xgh was solved by K.Song, X.Yang, Y.Zhao, Z.Jian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.360, 136.312, 149.408, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 28

The binding sites of Fluorine atom in the Crystal Structure of PI3K Complex with An Inhibitor (pdb code 5xgh). 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 Crystal Structure of PI3K Complex with An Inhibitor, PDB code: 5xgh:

Fluorine binding site 1 out of 1 in the Crystal Structure of PI3K 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 Crystal Structure of PI3K Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:84.7 occ:1.00 F52 A:84U1101 0.0 84.7 1.0 C47 A:84U1101 1.3 85.3 1.0 C45 A:84U1101 2.4 84.7 1.0 C48 A:84U1101 2.4 84.2 1.0 OG A:SER773 3.5 68.3 1.0 C43 A:84U1101 3.6 83.2 1.0 C50 A:84U1101 3.7 82.5 1.0 CB A:SER774 3.9 72.5 1.0 N A:SER774 4.0 71.5 1.0 C42 A:84U1101 4.2 81.0 1.0 CA A:SER774 4.4 72.0 1.0 C21 A:84U1101 4.7 60.7 1.0 N A:SER773 4.8 68.7 1.0 CB A:SER773 4.8 68.9 1.0 C A:SER773 4.8 70.0 1.0 OG A:SER774 4.9 72.6 1.0

X.Yang, X.Zhang, M.Huang, K.Song, X.Li, M.Huang, L.Meng, J.Zhang. New Insights Into PI3K Inhibitor Design Using X-Ray Structures of PI3K Alpha Complexed with A Potent Lead Compound. Sci Rep V. 7 14572 2017.
ISSN: ESSN 2045-2322
PubMed: 29109464
DOI: 10.1038/S41598-017-15260-5