Fluorine in PDB 4flh: Crystal Structure of Human PI3K-Gamma in Complex with AMG511

All present enzymatic activity of Crystal Structure of Human PI3K-Gamma in Complex with AMG511:
2.7.1.153; 2.7.11.1;

The structure of Crystal Structure of Human PI3K-Gamma in Complex with AMG511, PDB code: 4flh 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)	41.15 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	145.059, 67.803, 107.523, 90.00, 95.27, 90.00
R / Rfree (%)	20 / 24.4

The binding sites of Fluorine atom in the Crystal Structure of Human PI3K-Gamma in Complex with AMG511 (pdb code 4flh). 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 AMG511, PDB code: 4flh:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human PI3K-Gamma in Complex with AMG511


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 AMG511 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1205 b:57.1 occ:1.00 F16 A:14K1205 0.0 57.1 1.0 C12 A:14K1205 1.3 54.1 1.0 C13 A:14K1205 2.4 54.3 1.0 C11 A:14K1205 2.4 56.1 1.0 O14 A:14K1205 2.7 59.0 1.0 CD A:LYS833 3.3 56.9 1.0 CE A:LYS833 3.4 59.1 1.0 NZ A:LYS833 3.5 61.0 1.0 N10 A:14K1205 3.6 51.3 1.0 C8 A:14K1205 3.6 49.5 1.0 O A:HOH1318 3.9 56.0 1.0 C9 A:14K1205 4.1 50.2 1.0 CG A:LYS833 4.1 55.8 1.0 C15 A:14K1205 4.2 49.2 1.0 CG A:PRO810 4.4 58.2 1.0 CB A:LYS833 4.4 54.9 1.0 CG2 A:ILE831 4.4 44.0 1.0 CB A:PRO810 4.6 56.8 1.0 CD1 A:ILE879 4.6 49.3 1.0 N7 A:14K1205 4.7 49.2 1.0 OD2 A:ASP964 4.8 65.9 1.0 N1 A:14K1205 4.8 57.3 1.0

M.H.Norman, K.L.Andrews, Y.Y.Bo, S.K.Booker, S.Caenepeel, V.J.Cee, N.D.D'angelo, D.J.Freeman, B.J.Herberich, F.T.Hong, C.L.Jackson, J.Jiang, B.A.Lanman, L.Liu, J.D.Mccarter, E.L.Mullady, N.Nishimura, L.H.Pettus, A.B.Reed, T.S.Miguel, A.L.Smith, M.M.Stec, S.Tadesse, A.Tasker, D.Aidasani, X.Zhu, R.Subramanian, N.A.Tamayo, L.Wang, D.A.Whittington, B.Wu, T.Wu, R.P.Wurz, K.Yang, L.Zalameda, N.Zhang, P.E.Hughes. Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of A Series of Pyridyltriazines Leading to the Identification of A Clinical Candidate, Amg 511. J.Med.Chem. V. 55 7796 2012.
ISSN: ISSN 0022-2623
PubMed: 22897589
DOI: 10.1021/JM300846Z