Chlorine in PDB 1y8y: Crystal Structure of Human CDK2 Complexed with A Pyrazolo[1, 5-A]Pyrimidine Inhibitor

All present enzymatic activity of Crystal Structure of Human CDK2 Complexed with A Pyrazolo[1, 5-A]Pyrimidine Inhibitor:
2.7.1.37;

The structure of Crystal Structure of Human CDK2 Complexed with A Pyrazolo[1, 5-A]Pyrimidine Inhibitor, PDB code: 1y8y was solved by D.S.Williamson, M.J.Parratt, C.J.Torrance, J.F.Bower, J.D.Moore, C.M.Richardson, P.Dokurno, A.D.Cansfield, G.L.Francis, R.J.Hebdon, R.Howes, P.S.Jackson, A.M.Lockie, J.B.Murray, C.L.Nunns, J.Powles, A.Robertson, A.E.Surgenor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.64 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.944, 71.756, 71.957, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 27.2

The binding sites of Chlorine atom in the Crystal Structure of Human CDK2 Complexed with A Pyrazolo[1, 5-A]Pyrimidine Inhibitor (pdb code 1y8y). 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 Human CDK2 Complexed with A Pyrazolo[1, 5-A]Pyrimidine Inhibitor, PDB code: 1y8y:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human CDK2 Complexed with A Pyrazolo[1, 5-A]Pyrimidine 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 Human CDK2 Complexed with A Pyrazolo[1, 5-A]Pyrimidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:46.4 occ:1.00 CL1 A:CT7401 0.0 46.4 1.0 C7 A:CT7401 1.6 35.9 1.0 N1 A:CT7401 2.5 29.0 1.0 C8 A:CT7401 2.6 33.7 1.0 NZ A:LYS33 3.7 32.9 1.0 C10 A:CT7401 3.8 33.2 1.0 CG2 A:VAL18 3.8 36.1 1.0 C9 A:CT7401 3.9 34.6 1.0 CG1 A:VAL18 4.0 35.8 1.0 CB A:VAL18 4.1 38.1 1.0 O A:HOH468 4.3 42.3 1.0 N2 A:CT7401 4.3 34.2 1.0 O A:ILE10 4.4 56.5 1.0 CE A:LYS33 4.4 32.4 1.0 O A:GLN131 4.8 33.5 1.0 N5 A:CT7401 5.0 32.3 1.0 C12 A:CT7401 5.0 30.4 1.0

D.S.Williamson, M.J.Parratt, J.F.Bower, J.D.Moore, C.M.Richardson, P.Dokurno, A.D.Cansfield, G.L.Francis, R.J.Hebdon, R.Howes, P.S.Jackson, A.M.Lockie, J.B.Murray, C.L.Nunns, J.Powles, A.Robertson, A.E.Surgenor, C.J.Torrance. Structure-Guided Design of Pyrazolo[1,5-A]Pyrimidines As Inhibitors of Human Cyclin-Dependent Kinase 2. Bioorg.Med.Chem.Lett. V. 15 863 2005.
ISSN: ISSN 0960-894X
PubMed: 15686876
DOI: 10.1016/J.BMCL.2004.12.073