Chlorine in PDB 2v0d: Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor

All present enzymatic activity of Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor:
2.7.1.37; 2.7.11.22;

The structure of Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor, PDB code: 2v0d was solved by C.M.Richardson, P.Dokurno, J.B.Murray, A.E.Surgenor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.459, 71.850, 72.011, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 28.6

The binding sites of Chlorine atom in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone Inhibitor (pdb code 2v0d). 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 Thiazolidinone Inhibitor, PDB code: 2v0d:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human CDK2 Complexed with A Thiazolidinone 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 Thiazolidinone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1300 b:38.1 occ:1.00 O A:HOH2055 3.3 21.6 1.0 CD A:LYS89 3.5 27.4 1.0 O A:HOH2218 3.8 24.2 1.0 O A:HOH2053 3.8 20.0 1.0 O A:HIS84 3.9 19.3 1.0 O A:HOH2005 4.0 33.7 1.0 NZ A:LYS89 4.1 30.7 1.0 CA A:GLN85 4.3 17.5 1.0 CE A:LYS89 4.3 30.6 1.0 N A:ASP86 4.4 17.5 1.0 CB A:LYS89 4.5 23.9 1.0 CG A:LYS89 4.6 24.1 1.0 C A:HIS84 4.8 18.6 1.0 OD2 A:ASP86 4.8 20.3 1.0 CG A:GLN85 4.8 19.3 1.0 C A:GLN85 4.8 16.8 1.0 CG A:ASP86 4.9 19.5 1.0 N A:GLN85 5.0 19.0 1.0 CB A:GLN85 5.0 17.6 1.0

C.M.Richardson, C.L.Nunns, D.S.Williamson, M.J.Parratt, P.Dokurno, R.Howes, J.Borgognoni, M.J.Drysdale, H.Finch, R.E.Hubbard, P.S.Jackson, P.Kierstan, G.Lentzen, J.D.Moore, J.B.Murray, H.Simmonite, A.E.Surgenor, C.J.Torrance. Discovery of A Potent CDK2 Inhibitor with A Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping. Bioorg.Med.Chem.Lett. V. 17 3880 2007.
ISSN: ISSN 0960-894X
PubMed: 17570665
DOI: 10.1016/J.BMCL.2007.04.110