Fluorine in PDB 2w17: CDK2 in Complex with the Imidazole Pyrimidine Amide, Compound (S)-8B

All present enzymatic activity of CDK2 in Complex with the Imidazole Pyrimidine Amide, Compound (S)-8B:
2.7.11.22;

The structure of CDK2 in Complex with the Imidazole Pyrimidine Amide, Compound (S)-8B, PDB code: 2w17 was solved by C.D.Jones, D.M.Andrews, A.J.Barker, K.Blades, P.Daunt, S.East, C.Geh, M.A.Graham, K.M.Johnson, S.A.Loddick, H.M.Mcfarland, A.Mcgregor, L.Moss, D.A.Rudge, P.B.Simpson, M.L.Swain, K.Y.Tam, J.A.Tucker, M.Walker, C.Brassington, H.Haye, E.Mccall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.93 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.542, 71.824, 71.771, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 30

The binding sites of Fluorine atom in the CDK2 in Complex with the Imidazole Pyrimidine Amide, Compound (S)-8B (pdb code 2w17). 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 CDK2 in Complex with the Imidazole Pyrimidine Amide, Compound (S)-8B, PDB code: 2w17:

Fluorine binding site 1 out of 1 in the CDK2 in Complex with the Imidazole Pyrimidine Amide, Compound (S)-8B


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of CDK2 in Complex with the Imidazole Pyrimidine Amide, Compound (S)-8B within 5.0Å range: probe atom residue distance (Å) B Occ A:F1300 b:47.1 occ:1.00 F1 A:I191300 0.0 47.1 1.0 C24 A:I191300 1.3 45.4 1.0 C23 A:I191300 2.3 44.1 1.0 C8 A:I191300 2.4 45.0 1.0 C6 A:I191300 2.9 47.7 1.0 C7 A:I191300 2.9 46.8 1.0 CB A:PHE80 3.2 45.8 1.0 CG A:PHE80 3.3 46.5 1.0 CG1 A:VAL64 3.4 44.9 1.0 N7 A:I191300 3.6 45.0 1.0 N3 A:I191300 3.6 43.9 1.0 CD1 A:PHE80 3.6 46.4 1.0 O A:GLU81 3.9 44.5 1.0 CD2 A:PHE80 3.9 47.3 1.0 CB A:ALA31 4.0 45.6 1.0 C9 A:I191300 4.0 44.4 1.0 CD1 A:LEU134 4.1 39.6 1.0 CB A:VAL64 4.2 44.8 1.0 N2 A:I191300 4.2 48.2 1.0 N1 A:I191300 4.2 46.2 1.0 CG2 A:VAL64 4.4 45.7 1.0 CE1 A:PHE80 4.5 46.2 1.0 CB A:ALA144 4.7 47.5 1.0 CA A:PHE80 4.7 46.0 1.0 CE2 A:PHE80 4.7 48.2 1.0 C4 A:I191300 4.8 47.2 1.0 CZ A:PHE80 4.9 47.6 1.0

C.D.Jones, D.M.Andrews, A.J.Barker, K.Blades, P.Daunt, S.East, C.Geh, M.A.Graham, K.M.Johnson, S.A.Loddick, H.M.Mcfarland, A.Mcgregor, L.Moss, D.A.Rudge, P.B.Simpson, M.L.Swain, K.Y.Tam, J.A.Tucker, M.Walker. The Discovery of AZD5597, A Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable For Intravenous Dosing. Bioorg.Med.Chem.Lett. V. 18 6369 2008.
ISSN: ISSN 0960-894X
PubMed: 18996007
DOI: 10.1016/J.BMCL.2008.10.102