Fluorine in PDB 7myo: Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719

All present enzymatic activity of Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719:
2.7.1.153; 2.7.11.1;

The binding sites of Fluorine atom in the Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719 (pdb code 7myo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719, PDB code: 7myo:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:70.3 occ:1.00 F2 A:1LT1101 0.0 70.3 1.0 C18 A:1LT1101 1.3 70.3 1.0 F A:1LT1101 2.1 70.3 1.0 F1 A:1LT1101 2.1 70.3 1.0 C15 A:1LT1101 2.4 70.3 1.0 C16 A:1LT1101 2.8 70.3 1.0 C13 A:1LT1101 3.0 70.3 1.0 C14 A:1LT1101 3.3 70.3 1.0 CD1 A:ILE932 3.6 65.0 1.0 OG A:SER774 3.7 120.0 1.0 C17 A:1LT1101 3.7 70.3 1.0 OD1 A:ASP933 3.9 71.5 1.0 N4 A:1LT1101 3.9 70.3 1.0 CB A:SER774 4.3 120.0 1.0 C10 A:1LT1101 4.5 70.3 1.0 CG A:ASP933 4.8 71.5 1.0 OD2 A:ASP933 4.8 71.5 1.0 C12 A:1LT1101 4.9 70.3 1.0 CG1 A:ILE932 4.9 65.0 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:70.3 occ:1.00 F A:1LT1101 0.0 70.3 1.0 C18 A:1LT1101 1.3 70.3 1.0 F1 A:1LT1101 2.1 70.3 1.0 F2 A:1LT1101 2.1 70.3 1.0 C15 A:1LT1101 2.4 70.3 1.0 OD1 A:ASP933 2.6 71.5 1.0 OD2 A:ASP933 2.9 71.5 1.0 C13 A:1LT1101 2.9 70.3 1.0 C17 A:1LT1101 2.9 70.3 1.0 CG A:ASP933 3.0 71.5 1.0 N4 A:1LT1101 3.1 70.3 1.0 C16 A:1LT1101 3.7 70.3 1.0 CD1 A:ILE932 3.8 65.0 1.0 C14 A:1LT1101 3.9 70.3 1.0 C12 A:1LT1101 4.2 70.3 1.0 CB A:ASP933 4.4 71.5 1.0 OG A:SER774 4.6 120.0 1.0 CG1 A:ILE932 4.6 65.0 1.0 CB A:ALA775 4.8 100.4 1.0 CA A:ASP933 4.9 71.5 1.0 N A:ASP933 4.9 71.5 1.0 C10 A:1LT1101 4.9 70.3 1.0 CB A:ILE932 4.9 65.0 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of P110ALPHA in Complex with P85ALPHA Inhibited By Byl-719 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:70.3 occ:1.00 F1 A:1LT1101 0.0 70.3 1.0 C18 A:1LT1101 1.3 70.3 1.0 F A:1LT1101 2.1 70.3 1.0 F2 A:1LT1101 2.1 70.3 1.0 C15 A:1LT1101 2.5 70.3 1.0 OG A:SER774 2.6 120.0 1.0 C16 A:1LT1101 2.9 70.3 1.0 C17 A:1LT1101 2.9 70.3 1.0 CB A:SER774 3.6 120.0 1.0 CB A:ALA775 3.7 100.4 1.0 C13 A:1LT1101 3.8 70.3 1.0 N A:ALA775 3.9 100.4 1.0 OD2 A:ASP933 4.1 71.5 1.0 OD1 A:ASP933 4.2 71.5 1.0 CA A:ALA775 4.4 100.4 1.0 N4 A:1LT1101 4.5 70.3 1.0 C A:SER774 4.5 120.0 1.0 C14 A:1LT1101 4.6 70.3 1.0 CG A:ASP933 4.6 71.5 1.0 CA A:SER774 4.7 120.0 1.0 NZ A:LYS802 4.8 62.0 1.0 CG A:PRO778 4.9 80.1 1.0

X.Liu, S.Yang, J.R.Hart, Y.Xu, X.Zou, H.Zhang, Q.Zhou, T.Xia, Y.Zhang, D.Yang, M.W.Wang, P.K.Vogt. Cryo-Em Structures of PI3K Alpha Reveal Conformational Changes During Inhibition and Activation Proc.Natl.Acad.Sci.Usa V. 118 2021.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2109327118