Fluorine in PDB 3o51: Crystal Structure of Anthranilamide 10 Bound to Auroraa

All present enzymatic activity of Crystal Structure of Anthranilamide 10 Bound to Auroraa:
2.7.11.1;

The structure of Crystal Structure of Anthranilamide 10 Bound to Auroraa, PDB code: 3o51 was solved by X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.658, 86.658, 76.753, 90.00, 90.00, 90.00
R / Rfree (%)	28.8 / 30.4

The binding sites of Fluorine atom in the Crystal Structure of Anthranilamide 10 Bound to Auroraa (pdb code 3o51). 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 Anthranilamide 10 Bound to Auroraa, PDB code: 3o51:

Fluorine binding site 1 out of 1 in the Crystal Structure of Anthranilamide 10 Bound to Auroraa


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 Anthranilamide 10 Bound to Auroraa within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:62.7 occ:1.00 F1 A:LJF1 0.0 62.7 1.0 C3 A:LJF1 1.3 62.6 1.0 C4 A:LJF1 2.4 62.3 1.0 C2 A:LJF1 2.4 62.6 1.0 O1 A:LJF1 2.8 61.4 1.0 C5 A:LJF1 2.8 62.5 1.0 C12 A:LJF1 3.0 60.9 1.0 C9 A:LJF1 3.0 62.2 1.0 C11 A:LJF1 3.1 60.7 1.0 N2 A:LJF1 3.6 62.2 1.0 N1 A:LJF1 3.6 62.8 1.0 CB A:ALA160 3.9 68.0 1.0 C6 A:LJF1 3.9 62.0 1.0 C13 A:LJF1 4.0 61.0 1.0 C1 A:LJF1 4.1 62.6 1.0 CG1 A:VAL147 4.1 74.2 1.0 N3 A:LJF1 4.2 62.2 1.0 C16 A:LJF1 4.2 60.5 1.0 CD2 A:LEU194 4.4 64.3 1.0 CD1 A:LEU263 4.5 66.8 1.0 CG2 A:VAL147 4.5 74.1 1.0 CD1 A:LEU210 4.6 64.0 1.0 O A:GLU211 4.7 67.2 1.0 CB A:LEU210 4.7 65.3 1.0 C7 A:LJF1 4.9 62.0 1.0 CB A:VAL147 4.9 74.2 1.0 C8 A:LJF1 5.0 62.2 1.0 C14 A:LJF1 5.0 60.8 1.0

V.J.Cee, L.B.Schenkel, B.L.Hodous, H.L.Deak, H.N.Nguyen, P.R.Olivieri, K.Romero, A.Bak, X.Be, S.Bellon, T.L.Bush, A.C.Cheng, G.Chung, S.Coats, P.M.Eden, K.Hanestad, P.L.Gallant, Y.Gu, X.Huang, R.L.Kendall, M.H.Lin, M.J.Morrison, V.F.Patel, R.Radinsky, P.E.Rose, S.Ross, J.R.Sun, J.Tang, H.Zhao, M.Payton, S.D.Geuns-Meyer. Discovery of A Potent, Selective, and Orally Bioavailable Pyridinyl-Pyrimidine Phthalazine Aurora Kinase Inhibitor. J.Med.Chem. V. 53 6368 2010.
ISSN: ISSN 0022-2623
PubMed: 20684549
DOI: 10.1021/JM100394Y