Fluorine in PDB 1p2a: The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Trisubstituted Naphthostyril Inhibitor

The structure of The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Trisubstituted Naphthostyril Inhibitor, PDB code: 1p2a was solved by J.-J.Liu, A.Dermatakis, C.M.Lukacs, F.Konzelmann, Y.Chen, U.Kammlott, W.Depinto, H.Yang, X.Yin, Y.Chen, A.Schutt, M.E.Simcox, K.-C.Luk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.645, 71.406, 71.342, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Trisubstituted Naphthostyril Inhibitor (pdb code 1p2a). 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 Structure of Cyclin Dependent Kinase 2 (CKD2) with A Trisubstituted Naphthostyril Inhibitor, PDB code: 1p2a:

Fluorine binding site 1 out of 1 in the The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Trisubstituted Naphthostyril Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of Cyclin Dependent Kinase 2 (CKD2) with A Trisubstituted Naphthostyril Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:37.4 occ:1.00 F A:5BN301 0.0 37.4 1.0 C3 A:5BN301 1.3 36.0 1.0 C2 A:5BN301 2.4 34.3 1.0 C4 A:5BN301 2.5 35.8 1.0 OD2 A:ASP145 2.8 27.3 1.0 CG A:ASP145 2.9 25.8 1.0 N19 A:5BN301 3.1 36.5 1.0 C7 A:5BN301 3.1 36.1 1.0 CB A:ASP145 3.3 25.5 1.0 OD1 A:ASP145 3.4 25.3 1.0 C1 A:5BN301 3.7 35.3 1.0 C5 A:5BN301 3.7 36.0 1.0 CA A:ASP145 3.8 26.2 1.0 CG2 A:VAL18 4.0 33.8 1.0 N A:ASP145 4.1 24.2 1.0 C6 A:5BN301 4.2 35.0 1.0 C20 A:5BN301 4.5 37.7 1.0 C8 A:5BN301 4.5 37.3 1.0 CD A:LYS33 4.5 39.3 1.0 NZ A:LYS33 4.6 42.8 1.0 CG1 A:VAL18 4.8 33.0 1.0 CE2 A:PHE80 4.8 27.9 1.0 C A:ALA144 4.9 24.8 1.0 CE A:LYS33 4.9 40.3 1.0 N22 A:5BN301 4.9 41.7 1.0 CD2 A:PHE80 5.0 27.2 1.0 C10 A:5BN301 5.0 37.4 1.0 CB A:VAL18 5.0 34.6 1.0

J.-J.Liu, A.Dermatakis, C.M.Lukacs, F.Konzelmann, Y.Chen, U.Kammlott, W.Depinto, H.Yang, X.Yin, Y.Chen, A.Schutt, M.E.Simcox, K.-C.Luk. 3,5,6-Trisubstituted Naphthostyrils As CDK2 Inhibitors Bioorg.Med.Chem. V. 13 2465 2003.
ISSN: ISSN 0968-0896
PubMed: 12852944
DOI: 10.1016/S0960-894X(03)00488-8