Chlorine in PDB 3lfs: Crystal Structure of CDK2 with SAR37, An Aminoindazole Type Inhibitor

All present enzymatic activity of Crystal Structure of CDK2 with SAR37, An Aminoindazole Type Inhibitor:
2.7.11.22;

The structure of Crystal Structure of CDK2 with SAR37, An Aminoindazole Type Inhibitor, PDB code: 3lfs was solved by M.K.Dreyer, K.U.Wendt, S.Schimanski-Breves, P.Loenze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.88 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.279, 72.961, 72.442, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 25

The binding sites of Chlorine atom in the Crystal Structure of CDK2 with SAR37, An Aminoindazole Type Inhibitor (pdb code 3lfs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of CDK2 with SAR37, An Aminoindazole Type Inhibitor, PDB code: 3lfs:

Chlorine binding site 1 out of 1 in the Crystal Structure of CDK2 with SAR37, An Aminoindazole Type Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of CDK2 with SAR37, An Aminoindazole Type Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl299 b:39.4 occ:1.00 CL1 A:A07299 0.0 39.4 1.0 C12 A:A07299 1.7 0.0 1.0 C13 A:A07299 2.7 59.8 1.0 C17 A:A07299 2.7 33.3 1.0 C1 A:A07299 3.0 37.2 1.0 OD1 A:ASP145 3.3 22.2 1.0 C6 A:A07299 3.3 72.1 1.0 CE2 A:PHE80 3.6 29.0 1.0 CD2 A:PHE80 3.7 26.1 1.0 CB A:ALA144 3.7 17.5 1.0 C2 A:A07299 3.9 40.5 1.0 N A:ASP145 3.9 18.8 1.0 CZ A:PHE80 4.0 26.9 1.0 C14 A:A07299 4.0 61.9 1.0 CG A:ASP145 4.0 22.5 1.0 C16 A:A07299 4.0 57.8 1.0 CG A:PHE80 4.1 23.4 1.0 C5 A:A07299 4.3 29.2 1.0 CE1 A:PHE80 4.3 27.4 1.0 CD1 A:PHE80 4.3 26.3 1.0 CA A:ALA144 4.5 17.1 1.0 C15 A:A07299 4.5 32.9 1.0 CE A:LYS33 4.5 37.1 1.0 C A:ALA144 4.6 21.9 1.0 CA A:ASP145 4.6 18.8 1.0 OD2 A:ASP145 4.6 26.6 1.0 NZ A:LYS33 4.7 33.5 1.0 CB A:ASP145 4.7 20.1 1.0 C3 A:A07299 4.8 36.6 1.0 CB A:PHE80 4.8 22.1 1.0 C4 A:A07299 4.9 28.9 1.0

D.Lesuisse, G.Dutruc-Rosset, G.Tiraboschi, M.K.Dreyer, S.Maignan, A.Chevalier, F.Halley, P.Bertrand, M.C.Burgevin, D.Quarteronet, T.Rooney. Rational Design of Potent GSK3BETA Inhibitors with Selectivity For CDK1 and CDK2. Bioorg.Med.Chem.Lett. V. 20 1985 2010.
ISSN: ISSN 0960-894X
PubMed: 20167481
DOI: 10.1016/J.BMCL.2010.01.114