Bromine in PDB 2c68: Crystal Structure of the Human CDK2 Complexed with the Triazolopyrimidine Inhibitor

All present enzymatic activity of Crystal Structure of the Human CDK2 Complexed with the Triazolopyrimidine Inhibitor:
2.7.1.37;

The structure of Crystal Structure of the Human CDK2 Complexed with the Triazolopyrimidine Inhibitor, PDB code: 2c68 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)	15.00 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.090, 72.030, 71.878, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 24.9

The binding sites of Bromine atom in the Crystal Structure of the Human CDK2 Complexed with the Triazolopyrimidine Inhibitor (pdb code 2c68). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the Human CDK2 Complexed with the Triazolopyrimidine Inhibitor, PDB code: 2c68:

Bromine binding site 1 out of 1 in the Crystal Structure of the Human CDK2 Complexed with the Triazolopyrimidine Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Human CDK2 Complexed with the Triazolopyrimidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1297 b:33.9 occ:1.00 BR1 A:CT61297 0.0 33.9 1.0 C1 A:CT61297 1.9 26.2 1.0 C2 A:CT61297 2.9 24.7 1.0 C6 A:CT61297 2.9 25.0 1.0 O A:HOH2113 3.4 29.6 1.0 NE2 A:GLN131 3.6 29.4 1.0 N A:GLU12 3.6 36.0 1.0 CA A:GLY11 3.6 36.5 1.0 C A:GLY11 3.6 36.5 1.0 O A:GLU12 3.7 36.4 1.0 C A:GLU12 3.8 35.6 1.0 N A:GLY13 3.8 34.8 1.0 CA A:GLY13 4.0 34.3 1.0 N A:GLY11 4.0 36.9 1.0 O A:HOH2110 4.1 38.0 1.0 CG2 A:VAL18 4.2 24.1 1.0 C3 A:CT61297 4.2 25.1 1.0 O A:HOH2009 4.2 36.5 1.0 C5 A:CT61297 4.2 23.6 1.0 O A:HOH2007 4.2 38.0 1.0 O A:GLY11 4.2 36.3 1.0 CA A:GLU12 4.3 36.2 1.0 CB A:VAL18 4.4 26.6 1.0 CD A:GLN131 4.5 32.2 1.0 CG2 A:ILE10 4.5 37.8 1.0 C A:ILE10 4.6 37.2 1.0 C4 A:CT61297 4.7 25.5 1.0 O A:ILE10 4.8 37.9 1.0

C.M.Richardson, D.S.Williamson, M.J.Parratt, J.Borgognoni, A.D.Cansfield, P.Dokurno, G.L.Francis, R.Howes, J.D.Moore, J.B.Murray, A.Robertson, A.E.Surgenor, C.J.Torrance. Triazolo[1,5-A]Pyrimidines As Novel CDK2 Inhibitors: Protein Structure-Guided Design and Sar. Bioorg.Med.Chem.Lett. V. 16 1353 2006.
ISSN: ISSN 0960-894X
PubMed: 16325401
DOI: 10.1016/J.BMCL.2005.11.048