Bromine in the structure of Substitutions At C2' of Daunosamine in the Anticancer Daunorubicin Alter Its Dna-Binding Sequence Specificity (pdb 277d)

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 277d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 277d 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) 28.190 b (A) 28.190 c (A) 52.660 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 277d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 277d. 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: G494, A: Dc5, A: Dg6, A: Dm87, A: Hoh19, A: Hoh23, A: Hoh27, conact list: Atom Atom Distance (A) Br CM2 A:G494 4.60 Br C3' A:Dc5 4.86 Br C1' A:Dc5 4.74 Br O2 A:Dc5 4.76 Br O3' A:Dc5 4.33 Br O4' A:Dc5 4.32 Br C4' A:Dc5 4.08 Br OP1 A:Dg6 4.33 Br P A:Dg6 4.72 Br O4' A:Dg6 4.85 Br C5' A:Dg6 3.53 Br C4' A:Dg6 4.05 Br O5' A:Dg6 4.42 Br N3' A:Dm87 3.16 Br C4' A:Dm87 3.25 Br O5' A:Dm87 3.33 Br O7 A:Dm87 3.96 Br C3' A:Dm87 2.83 Br C1' A:Dm87 2.73 Br O4' A:Dm87 4.52 Br C5' A:Dm87 4.00 Br C2' A:Dm87 1.82 Br BR A:Dm87 0.00 Br O6 A:Dm87 4.72 Br C6' A:Dm87 4.95 Br O A:Hoh19 3.70 Br O A:Hoh23 3.84 Br O A:Hoh27 3.90 interactive model: