Bromine in the structure of Human Cyclin Dependent Protein Kinase 2 in Complex With the Inhibitor 5-Bromo-Indirubine (pdb 2bhe)

The binding sites of Bromine atom in the structure of Human Cyclin Dependent Protein Kinase 2 in Complex With the Inhibitor 5-Bromo-Indirubine (pdb code 2bhe). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2bhe structure was solved by M.SCHAEFER, R.JAUTELAT, T.BRUMBY, H.BRIEM, G.EISENBRAND, S.SCHWAHN, M.KRUEGER, U.LUECKING, O.PRIEN, G.SIEMEISTER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.9 Space group P212121 a (A) 53.685 b (A) 71.918 c (A) 71.922 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 24.62 Rfree (%) 32.19 Bromine Binding Sites: Bromine binding site 1 out of 1 in 2bhe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2bhe. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Val18, A: Lys33, A: Asp145, A: Bry1299, conact list: Atom Atom Distance (A) Br CB A:Val18 4.59 Br CG2 A:Val18 3.59 Br CG1 A:Val18 4.38 Br CB A:Lys33 4.98 Br CE A:Lys33 4.19 Br CD A:Lys33 3.73 Br CG A:Lys33 4.84 Br N A:Asp145 4.94 Br CB A:Asp145 3.55 Br OD2 A:Asp145 3.27 Br OD1 A:Asp145 3.87 Br CG A:Asp145 3.32 Br CA A:Asp145 4.50 Br C19 A:Bry1299 4.12 Br C18 A:Bry1299 4.11 Br O1 A:Bry1299 4.97 Br BR1 A:Bry1299 0.00 Br C17 A:Bry1299 4.58 Br C20 A:Bry1299 2.81 Br C22 A:Bry1299 2.81 Br C21 A:Bry1299 1.84 interactive model: