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Fluorine in PDB 5kae: Crystal Structure of Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G

Enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G

All present enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G:
2.7.1.153; 2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G, PDB code: 5kae was solved by D.A.Whittington, J.Tang, P.Yakowec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 2.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 143.578, 67.661, 106.197, 90.00, 95.05, 90.00
R / Rfree (%) 20.1 / 25.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G (pdb code 5kae). 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 Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G, PDB code: 5kae:

Fluorine binding site 1 out of 1 in 5kae

Go back to Fluorine Binding Sites List in 5kae
Fluorine binding site 1 out of 1 in the Crystal Structure of Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G


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 Human PI3K-Gamma in Complex with Quinoline- Containing Inhibitor 5G within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1204

b:64.5
occ:1.00
F1 A:6RF1204 0.0 64.5 1.0
C4 A:6RF1204 1.3 60.0 1.0
C3 A:6RF1204 2.4 58.7 1.0
C5 A:6RF1204 2.4 66.2 1.0
N A:MET804 3.0 75.7 1.0
C A:VAL803 3.0 76.2 1.0
O A:PRO810 3.2 61.6 1.0
CA A:VAL803 3.2 73.8 1.0
O A:LYS802 3.3 67.8 1.0
C A:LYS802 3.5 70.6 1.0
CB A:TRP812 3.5 55.8 1.0
N A:VAL803 3.5 73.5 1.0
CA A:MET804 3.6 76.8 1.0
O A:VAL803 3.6 78.2 1.0
C6 A:6RF1204 3.6 60.7 1.0
C2 A:6RF1204 3.6 61.4 1.0
CB A:MET804 3.7 74.8 1.0
N A:TRP812 3.8 56.4 1.0
C A:LEU811 3.9 54.8 1.0
CB A:LYS802 4.0 74.1 1.0
C1 A:6RF1204 4.1 58.8 1.0
C A:PRO810 4.1 59.1 1.0
CA A:TRP812 4.2 54.3 1.0
CA A:LEU811 4.3 57.0 1.0
CA A:LYS802 4.4 72.2 1.0
O A:LEU811 4.4 53.0 1.0
CG A:TRP812 4.6 55.1 1.0
CG A:MET804 4.6 75.7 1.0
N A:LEU811 4.6 56.4 1.0
CB A:VAL803 4.7 76.2 1.0
C9 A:6RF1204 4.8 65.7 1.0

Reference:

F.Gonzalez-Lopez De Turiso, X.Hao, Y.Shin, M.Bui, I.Campuzano, M.Cardozo, M.C.Dunn, J.Duquette, B.Fisher, R.S.Foti, K.Henne, X.He, Y.-L.Hu, R.C.Kelly, M.G.Johnson, B.S.Lucas, J.Mccarter, L.R.Mcgee, J.C.Medina, D.Metz, T.San Miguel, D.Mohn, T.Tran, C.Vissinga, S.Wannberg, D.A.Whittington, J.Whoriskey, G.Yu, L.Zalameda, X.Zhang, T.D.Cushing. Discovery and in Vivo Evaluation of the Potent and Selective PI3K-Delta Inhibitors Am-0687 and Am-1430 To Be Published.
Page generated: Tue Jul 15 04:40:49 2025

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