Fluorine in PDB 2wxo: The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with AS5.

All present enzymatic activity of The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with AS5.:
2.7.1.153;

The structure of The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with AS5., PDB code: 2wxo was solved by A.Berndt, S.Miller, O.Williams, D.D.Lee, B.T.Houseman, J.I.Pacold, F.Gorrec, W.-C.Hon, Y.Liu, C.Rommel, P.Gaillard, T.Ruckle, M.K.Schwarz, K.M.Shokat, J.P.Shaw, R.L.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.90 / 2.49
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	142.890, 64.170, 117.000, 90.00, 103.33, 90.00
R / Rfree (%)	21.3 / 27.7

The binding sites of Fluorine atom in the The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with AS5. (pdb code 2wxo). 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 The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with AS5., PDB code: 2wxo:

Fluorine binding site 1 out of 1 in the The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with AS5.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of the Murine Class Ia Pi 3-Kinase P110DELTA in Complex with AS5. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1500 b:35.1 occ:1.00 FAA A:ZZP1500 0.0 35.1 1.0 CAB A:ZZP1500 1.3 33.7 1.0 CAE A:ZZP1500 2.4 32.8 1.0 CAC A:ZZP1500 2.4 32.4 1.0 OD1 A:ASP911 3.5 23.4 1.0 CAD A:ZZP1500 3.6 33.2 1.0 CAF A:ZZP1500 3.6 31.7 1.0 CB A:ASN898 3.9 18.2 1.0 O A:ASP897 4.0 20.0 1.0 CG A:ASP911 4.1 21.3 1.0 CAG A:ZZP1500 4.1 32.5 1.0 CB A:ASP911 4.2 20.7 1.0 C A:ASP897 4.3 20.3 1.0 CA A:ASN898 4.4 18.3 1.0 N A:ASN898 4.5 19.1 1.0 CB A:ASP897 4.6 21.7 1.0 OD1 A:ASN898 4.6 19.5 1.0 NE2 A:HIS895 4.7 26.7 1.0 CG A:ASN898 4.8 18.0 1.0

A.Berndt, S.Miller, O.Williams, D.D.Lee, B.T.Houseman, J.I.Pacold, F.Gorrec, W.-C.Hon, Y.Liu, C.Rommel, P.Gaillard, T.Ruckle, M.K.Schwarz, K.M.Shokat, J.P.Shaw, R.L.Williams. The P110D Structure: Mechanisms For Selectivity and Potency of New Pi(3)K Inhibitors Nat.Chem.Biol. V. 6 117 2010.
ISSN: ISSN 1552-4450
PubMed: 20081827
DOI: 10.1038/NCHEMBIO.293