Fluorine in PDB 4uzh: SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases

All present enzymatic activity of SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases:
2.7.11.1;

The structure of SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases, PDB code: 4uzh was solved by S.Pouzieux, S.Maignan, J.Y.Crenne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.0 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.997, 45.585, 59.319, 90.00, 98.34, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases (pdb code 4uzh). 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 SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases, PDB code: 4uzh:

Fluorine binding site 1 out of 1 in the SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases within 5.0Å range: probe atom residue distance (Å) B Occ A:F1392 b:29.4 occ:1.00 F20 A:JVE1392 0.0 29.4 1.0 C17 A:JVE1392 1.3 26.6 1.0 C19 A:JVE1392 2.4 27.6 1.0 C16 A:JVE1392 2.4 25.6 1.0 C14 A:JVE1392 2.9 24.5 1.0 CD1 A:LEU210 3.4 21.3 1.0 CG2 A:VAL147 3.5 23.6 1.0 C27 A:JVE1392 3.5 21.3 1.0 C24 A:JVE1392 3.5 23.1 1.0 CG1 A:VAL147 3.6 23.6 1.0 C22 A:JVE1392 3.6 27.4 1.0 C18 A:JVE1392 3.7 26.9 1.0 CD A:LYS162 4.0 33.1 1.0 CB A:VAL147 4.1 23.2 1.0 C21 A:JVE1392 4.2 26.9 1.0 CB A:LYS162 4.3 27.1 1.0 C13 A:JVE1392 4.4 25.4 1.0 O15 A:JVE1392 4.4 28.7 1.0 CG A:LYS162 4.6 30.2 1.0 CE A:LYS162 4.8 35.4 1.0 CG A:LEU210 4.8 20.4 1.0 C11 A:JVE1392 4.9 26.3 1.0 N28 A:JVE1392 4.9 19.9 1.0 C23 A:JVE1392 5.0 22.7 1.0

J.C.Carry, F.F.Clerc, H.Minoux, L.Schio, J.Mauger, A.Nair, E.Parmantier, R.Le Moigne, C.Delorme, J.P.Nicolas, A.Krick, P.Y.Abecassis, V.Crocq-Stuerga, S.Pouzieux, L.Delarbre, S.Maignan, T.Bertrand, K.Bjergarde, N.Ma, S.Lachaud, H.Guizani, R.Lebel, G.Doerflinger, S.Monget, S.Perron, F.Gasse, O.Angouillant-Boniface, B.J.Filoche-Romme, M.Murer, S.Gontier, C.Prevost, M.L.Monteiro, C.Combeau. SAR156497 An Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem. 2014.
ISSN: ESSN 1520-4804
PubMed: 25369539
DOI: 10.1021/JM501326K