Fluorine in PDB 6c2t: Aurora A Ligand Complex

All present enzymatic activity of Aurora A Ligand Complex:
2.7.11.1;

The structure of Aurora A Ligand Complex, PDB code: 6c2t was solved by S.Antonysamy, A.Pustilnik, D.Manglicmot, K.Froning, K.Weichert, S.Wasserman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.68 / 1.73
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.487, 83.487, 74.766, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22

The structure of Aurora A Ligand Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Aurora A Ligand Complex (pdb code 6c2t). 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 Aurora A Ligand Complex, PDB code: 6c2t:

Fluorine binding site 1 out of 1 in the Aurora A Ligand Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Aurora A Ligand Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:30.5 occ:1.00 F34 A:EGJ401 0.0 30.5 1.0 C14 A:EGJ401 1.3 29.4 1.0 C15 A:EGJ401 2.4 31.9 1.0 H58 A:EGJ401 2.4 30.7 1.0 C13 A:EGJ401 2.4 30.4 1.0 C26 A:EGJ401 2.9 31.1 1.0 CL1 A:EGJ401 2.9 36.8 1.0 H46 A:EGJ401 2.9 21.8 1.0 H48 A:EGJ401 3.1 25.1 1.0 S35 A:EGJ401 3.3 24.2 1.0 O A:LEU139 3.4 34.3 1.0 H57 A:EGJ401 3.4 31.5 1.0 C10 A:EGJ401 3.5 22.0 1.0 CG2 A:VAL147 3.6 25.1 1.0 C7 A:EGJ401 3.6 31.2 1.0 C6 A:EGJ401 3.7 29.8 1.0 CG1 A:VAL147 3.9 20.4 1.0 CB A:VAL147 3.9 24.2 1.0 O A:HOH557 4.0 39.8 1.0 H51 A:EGJ401 4.0 26.4 1.0 C20 A:EGJ401 4.1 23.8 1.0 N30 A:EGJ401 4.1 27.8 1.0 C3 A:EGJ401 4.1 29.7 1.0 C22 A:EGJ401 4.2 26.1 1.0 H49 A:EGJ401 4.3 30.0 1.0 H43 A:EGJ401 4.5 31.8 1.0 H42 A:EGJ401 4.6 29.7 1.0 H59 A:EGJ401 4.6 28.2 1.0 C A:LEU139 4.6 36.4 1.0 H47 A:EGJ401 4.7 23.0 1.0 CB A:LEU139 4.8 26.9 1.0 C9 A:EGJ401 4.8 22.4 1.0 C21 A:EGJ401 4.9 30.6 1.0 C18 A:EGJ401 5.0 21.0 1.0 C24 A:EGJ401 5.0 27.4 1.0

X.Gong, J.Du, S.H.Parsons, F.F.Merzoug, Y.Webster, P.W.Iversen, L.C.Chio, R.D.Van Horn, X.Lin, W.Blosser, B.Han, S.Jin, S.Yao, H.Bian, C.Ficklin, L.Fan, A.Kapoor, S.Antonysamy, A.M.Mc Nulty, K.Froning, D.Manglicmot, A.Pustilnik, K.Weichert, S.R.Wasserman, M.Dowless, C.Marugan, C.Baquero, M.J.Lallena, S.W.Eastman, Y.H.Hui, M.Z.Dieter, T.Doman, S.Chu, H.R.Qian, X.S.Ye, D.A.Barda, G.D.Plowman, C.Reinhard, R.M.Campbell, J.R.Henry, S.G.Buchanan. Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of THERB1TUMOR Suppressor Gene. Cancer Discov V. 9 248 2019.
ISSN: ESSN 2159-8290
PubMed: 30373917
DOI: 10.1158/2159-8290.CD-18-0469