Fluorine in PDB 2b53: Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325

All present enzymatic activity of Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325:
2.7.1.37;

The structure of Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325, PDB code: 2b53 was solved by J.Muckelbauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.98 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.960, 73.510, 54.280, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325 (pdb code 2b53). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325, PDB code: 2b53:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325 within 5.0Å range: probe atom residue distance (Å) B Occ A:F299 b:40.9 occ:1.00 F24 A:D23299 0.0 40.9 1.0 C23 A:D23299 1.3 41.2 1.0 F26 A:D23299 2.1 40.8 1.0 F25 A:D23299 2.2 40.6 1.0 C15 A:D23299 2.3 42.2 1.0 N16 A:D23299 2.7 41.4 1.0 O A:HOH343 2.9 33.5 1.0 N14 A:D23299 3.4 43.6 1.0 CB A:ALA144 3.9 17.0 1.0 CD2 A:PHE80 3.9 20.5 1.0 C17 A:D23299 4.0 41.5 1.0 OD1 A:ASP145 4.0 31.6 1.0 CE2 A:PHE80 4.0 21.3 1.0 CG A:PHE80 4.2 20.6 1.0 C20 A:D23299 4.4 35.8 1.0 CZ A:PHE80 4.4 19.9 1.0 CG2 A:VAL64 4.5 23.2 1.0 CD1 A:PHE80 4.5 19.1 1.0 C11 A:D23299 4.6 42.7 1.0 CD2 A:LEU134 4.7 19.3 1.0 CB A:PHE80 4.7 19.4 1.0 CE1 A:PHE80 4.7 20.9 1.0 N18 A:D23299 4.7 40.3 1.0 N A:ASP145 4.7 25.1 1.0 C21 A:D23299 4.7 36.8 1.0 CA A:ALA144 4.9 18.6 1.0 C12 A:D23299 4.9 42.2 1.0 C19 A:D23299 4.9 39.0 1.0

Fluorine binding site 2 out of 3 in the Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325 within 5.0Å range: probe atom residue distance (Å) B Occ A:F299 b:40.6 occ:1.00 F25 A:D23299 0.0 40.6 1.0 C23 A:D23299 1.3 41.2 1.0 F26 A:D23299 2.2 40.8 1.0 F24 A:D23299 2.2 40.9 1.0 C15 A:D23299 2.3 42.2 1.0 N14 A:D23299 2.6 43.6 1.0 O A:HOH308 3.2 28.6 1.0 CB A:PHE80 3.3 19.4 1.0 CG A:PHE80 3.5 20.6 1.0 N16 A:D23299 3.6 41.4 1.0 CD2 A:PHE80 3.6 20.5 1.0 CB A:ALA31 3.6 23.6 1.0 C11 A:D23299 4.0 42.7 1.0 O A:GLU81 4.0 22.3 1.0 O A:HOH343 4.2 33.5 1.0 CD1 A:PHE80 4.2 19.1 1.0 CG2 A:VAL64 4.3 23.2 1.0 CE2 A:PHE80 4.5 21.3 1.0 CD2 A:LEU134 4.5 19.3 1.0 C17 A:D23299 4.7 41.5 1.0 CA A:PHE80 4.7 19.7 1.0 C10 A:D23299 4.8 42.9 1.0 C12 A:D23299 4.9 42.2 1.0 O A:ALA31 5.0 26.1 1.0 CA A:ALA31 5.0 24.6 1.0

Fluorine binding site 3 out of 3 in the Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Cyclin Dependent Kinase 2 (CDK2) Complexed with Din- 234325 within 5.0Å range: probe atom residue distance (Å) B Occ A:F299 b:40.8 occ:1.00 F26 A:D23299 0.0 40.8 1.0 C23 A:D23299 1.3 41.2 1.0 F24 A:D23299 2.1 40.9 1.0 F25 A:D23299 2.2 40.6 1.0 C15 A:D23299 2.2 42.2 1.0 N16 A:D23299 3.0 41.4 1.0 N14 A:D23299 3.1 43.6 1.0 CD2 A:PHE80 3.2 20.5 1.0 CE2 A:PHE80 3.7 21.3 1.0 CG A:PHE80 3.9 20.6 1.0 CB A:ALA31 3.9 23.6 1.0 CG1 A:VAL18 4.0 27.8 1.0 C17 A:D23299 4.2 41.5 1.0 CB A:PHE80 4.3 19.4 1.0 CG2 A:VAL18 4.3 26.2 1.0 CB A:LYS33 4.3 29.9 1.0 C11 A:D23299 4.4 42.7 1.0 O A:HOH343 4.6 33.5 1.0 CD A:LYS33 4.6 34.4 1.0 O A:ALA31 4.7 26.1 1.0 CZ A:PHE80 4.7 19.9 1.0 CB A:VAL18 4.8 28.2 1.0 C A:ALA31 4.8 25.4 1.0 N A:LYS33 4.9 27.6 1.0 C12 A:D23299 4.9 42.2 1.0 CD1 A:PHE80 4.9 19.1 1.0 O A:HOH308 5.0 28.6 1.0 C21 A:D23299 5.0 36.8 1.0

T.M.Sielecki, T.L.Johnson, J.Liu, J.K.Muckelbauer, R.H.Grafstrom, S.Cox, J.Boylan, C.R.Burton, H.Chen, A.Smallwood, C.-H.Chang, M.Boisclair, P.A.Benfield, G.L.Trainor, S.P.Seitz. Quinazolines As Cyclin Dependent Kinase Inhibitors Bioorg.Med.Chem.Lett. V. 11 1157 2001.
ISSN: ISSN 0960-894X
PubMed: 11354366
DOI: 10.1016/S0960-894X(01)00185-8