Bromine in the structure of Substitutions At C2' of Daunosamine in the Anticancer Daunorubicin Alter Its Dna-Binding Sequence Specificity (pdb 288d)

The binding sites of Bromine atom in the structure of Substitutions At C2' of Daunosamine in the Anticancer Daunorubicin Alter Its Dna-Binding Sequence Specificity (pdb code 288d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 288d structure was solved by Y.-G.GAO, W.PRIEBE, A.H.-J.WANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.8 Space group P41212 a (A) 28.042 b (A) 28.042 c (A) 53.363 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Bromine Binding Sites: Bromine binding site 1 out of 1 in 288d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 288d. 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: Dc5, A: Dg6, A: Dm87, A: Hoh10, A: Hoh11, conact list: Atom Atom Distance (A) Br C1' A:Dc5 4.91 Br O2 A:Dc5 4.73 Br O3' A:Dc5 4.63 Br O4' A:Dc5 4.47 Br C4' A:Dc5 4.42 Br OP1 A:Dg6 4.72 Br O4' A:Dg6 4.68 Br C5' A:Dg6 3.47 Br C4' A:Dg6 4.19 Br O5' A:Dg6 4.56 Br N3' A:Dm87 3.29 Br C4' A:Dm87 3.34 Br O5' A:Dm87 3.30 Br O7 A:Dm87 3.97 Br C3' A:Dm87 2.85 Br C1' A:Dm87 2.73 Br O4' A:Dm87 4.62 Br C5' A:Dm87 4.03 Br C2' A:Dm87 1.82 Br BR A:Dm87 0.00 Br O6 A:Dm87 4.89 Br O A:Hoh10 4.14 Br O A:Hoh11 3.85 interactive model: