Bromine in the structure of Substitutions At C2' of Daunosamine in the Anticancer Daunorubicin Alter Its Dna-Binding Sequence Specificity (pdb 276d)

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 276d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 276d 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) 28.090 b (A) 28.090 c (A) 53.380 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 276d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 276d. 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: Hoh39, A: Hoh41, conact list: Atom Atom Distance (A) Br C3' A:Dc5 4.96 Br C1' A:Dc5 4.85 Br O2 A:Dc5 4.73 Br O3' A:Dc5 4.34 Br O4' A:Dc5 4.35 Br C4' A:Dc5 4.24 Br OP1 A:Dg6 4.78 Br O4' A:Dg6 4.68 Br C5' A:Dg6 3.44 Br C4' A:Dg6 4.16 Br O5' A:Dg6 4.60 Br N3' A:Dm87 3.48 Br C4' A:Dm87 3.52 Br O5' A:Dm87 3.42 Br O7 A:Dm87 3.95 Br C3' A:Dm87 2.97 Br C1' A:Dm87 2.75 Br O4' A:Dm87 4.82 Br C5' A:Dm87 4.17 Br C2' A:Dm87 1.84 Br BR A:Dm87 0.00 Br O6 A:Dm87 4.85 Br O A:Hoh8 4.05 Br O A:Hoh9 3.67 Br O A:Hoh39 3.93 Br O A:Hoh41 4.48 interactive model: