Bromine in the structure of Substitutions At C2' of Daunosamine in the Anticancer Daunorubicin Alter Its Dna-Binding Sequence Specificity (pdb 278d)

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 278d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 278d 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) 28.250 b (A) 28.250 c (A) 53.670 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 278d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 278d. 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: Hoh8, A: Hoh9, A: Hoh12, A: Hoh37, A: Hoh44, conact list: Atom Atom Distance (A) Br C1' A:Dc5 4.84 Br O2 A:Dc5 4.63 Br O3' A:Dc5 4.47 Br O4' A:Dc5 4.37 Br C4' A:Dc5 4.25 Br OP1 A:Dg6 4.74 Br P A:Dg6 4.95 Br O4' A:Dg6 4.65 Br C5' A:Dg6 3.42 Br C4' A:Dg6 4.23 Br O5' A:Dg6 4.49 Br N3' A:Dm87 3.13 Br C4' A:Dm87 3.44 Br O5' A:Dm87 3.46 Br O7 A:Dm87 4.01 Br C3' A:Dm87 2.80 Br C1' A:Dm87 2.79 Br O4' A:Dm87 4.73 Br C5' A:Dm87 4.13 Br C2' A:Dm87 1.82 Br BR A:Dm87 0.00 Br O6 A:Dm87 4.78 Br O A:Hoh8 3.94 Br O A:Hoh9 4.90 Br O A:Hoh12 3.78 Br O A:Hoh37 4.25 Br O A:Hoh44 4.77 interactive model: