Cobalt in the structure of Crystal Structure of Proflavine in Complex With A Dna Hexamer Duplex (pdb 3ft6)

The binding sites of Cobalt atom in the structure of Crystal Structure of Proflavine in Complex With A Dna Hexamer Duplex (pdb code 3ft6). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 3ft6 structure was solved by T.MAEHIGASHI, O.PERSIL, N.V.HUD, L.D.WILLIAMS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.5-1.1 Space group P65 a (A) 24.563 b (A) 24.563 c (A) 78.276 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.4 Rfree (%) 21.9 Cobalt Binding Sites: Cobalt binding site 1 out of 3 in 3ft6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 3ft6. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Da3, A: Nco31, A: Hoh107, conact list: Atom Atom Distance (A) Co OP1 A:Da3 3.96 Co N1 A:Nco31 1.97 Co N6 A:Nco31 1.97 Co CO A:Nco31 0.00 Co N3 A:Nco31 1.99 Co N2 A:Nco31 1.99 Co N5 A:Nco31 1.99 Co N4 A:Nco31 1.99 Co O A:Hoh107 4.28 interactive model: Cobalt binding site 2 out of 3 in 3ft6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 3ft6. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Dg2, B: Dt4, A: Prl21, A: Nco32, A: Hoh33, B: Hoh119, conact list: Atom Atom Distance (A) Co C8 A:Dg2 4.86 Co C5 A:Dg2 4.90 Co N7 A:Dg2 3.97 Co O6 A:Dg2 4.52 Co O4 B:Dt4 4.61 Co N15 A:Prl21 4.98 Co N1 A:Nco32 1.99 Co N6 A:Nco32 1.98 Co CO A:Nco32 0.00 Co N3 A:Nco32 1.99 Co N2 A:Nco32 1.97 Co N5 A:Nco32 1.99 Co N4 A:Nco32 1.98 Co O A:Hoh33 1.50 Co O B:Hoh119 3.92 interactive model: Cobalt binding site 3 out of 3 in 3ft6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cobalt in the PDB 3ft6. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Dt4, B: Dg2, B: Prl22, B: Nco32, B: Hoh33, B: Hoh118, B: Hoh133, conact list: Atom Atom Distance (A) Co O4 A:Dt4 4.49 Co C8 B:Dg2 4.88 Co C6 B:Dg2 5.00 Co C5 B:Dg2 4.83 Co N7 B:Dg2 3.94 Co O6 B:Dg2 4.39 Co N16 B:Prl22 4.97 Co N1 B:Nco32 1.99 Co N6 B:Nco32 1.98 Co CO B:Nco32 0.00 Co N3 B:Nco32 1.98 Co N2 B:Nco32 1.98 Co N5 B:Nco32 1.98 Co N4 B:Nco32 1.98 Co O B:Hoh33 1.47 Co O B:Hoh118 4.98 Co O B:Hoh133 3.93 interactive model: