Bromine in PDB 2j9m: Crystal Structure of CDK2 in Complex with Macrocyclic Aminopyrimidine

All present enzymatic activity of Crystal Structure of CDK2 in Complex with Macrocyclic Aminopyrimidine:
2.7.1.37;

The structure of Crystal Structure of CDK2 in Complex with Macrocyclic Aminopyrimidine, PDB code: 2j9m was solved by M.Schaefer, U.Luecking, G.Siemeister, H.Briem, M.Krueger, P.Lienau, R.Jautelat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.936, 69.934, 71.687, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 29.4

The binding sites of Bromine atom in the Crystal Structure of CDK2 in Complex with Macrocyclic Aminopyrimidine (pdb code 2j9m). 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 CDK2 in Complex with Macrocyclic Aminopyrimidine, PDB code: 2j9m:

Bromine binding site 1 out of 1 in the Crystal Structure of CDK2 in Complex with Macrocyclic Aminopyrimidine


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 CDK2 in Complex with Macrocyclic Aminopyrimidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br299 b:47.7 occ:1.00 BR1 A:PY8299 0.0 47.7 1.0 C1 A:PY8299 1.9 44.1 1.0 C2 A:PY8299 2.9 42.3 1.0 C6 A:PY8299 2.9 44.5 1.0 N7 A:PY8299 3.1 43.4 1.0 CB A:ALA31 3.9 15.8 1.0 CB A:PHE80 3.9 12.9 1.0 CG A:PHE80 4.0 12.9 1.0 CD1 A:LEU134 4.0 17.9 1.0 N3 A:PY8299 4.1 42.3 1.0 N5 A:PY8299 4.1 46.4 1.0 CD2 A:PHE80 4.1 16.4 1.0 C8 A:PY8299 4.2 44.0 1.0 CG1 A:VAL64 4.5 15.2 1.0 CB A:ALA144 4.5 13.1 1.0 O A:GLU81 4.6 14.3 1.0 C4 A:PY8299 4.6 43.2 1.0 CD1 A:PHE80 4.7 18.0 1.0 CE2 A:PHE80 4.9 16.8 1.0 CG1 A:VAL18 5.0 18.1 1.0

U.Luecking, G.Siemeister, M.Schaefer, H.Briem, M.Krueger, P.Lienau, R.Jautelat. Macrocyclic Aminopyrimidines As Multitarget Cdk and Vegf-R Inhibitors with Potent Antiproliferative Activities. Chemmedchem V. 2 63 2007.
ISSN: ISSN 1860-7179
PubMed: 17131463
DOI: 10.1002/CMDC.200600199