Cobalt in the structure of Influence Of The Incorporation of A Cyclohexenyl Nucleic Acid (Cena) Residue Onto the Sequence D(Gcgtgcg)/D(Cgcacgc) (pdb 3fl6)

The binding sites of Cobalt atom in the structure of Influence Of The Incorporation of A Cyclohexenyl Nucleic Acid (Cena) Residue Onto the Sequence D(Gcgtgcg)/D(Cgcacgc) (pdb code 3fl6). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 3fl6 structure was solved by K.ROBEYNS, P.HERDEWIJN, L.VAN MEERVELT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.9-1.2 Space group P212121 a (A) 25.720 b (A) 33.570 c (A) 81.200 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 14.5 Rfree (%) n/a Cobalt Binding Sites: Cobalt binding site 1 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 3fl6. 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: Xtr4, A: Nco63, A: Hoh165, D: Hoh213, conact list: Atom Atom Distance (A) Co OP1 A:Xtr4 4.56 Co OP2 A:Xtr4 4.91 Co N1 A:Nco63 1.95 Co N1 A:Nco63 2.83 Co N6 A:Nco63 1.94 Co N6 A:Nco63 1.50 Co CO A:Nco63 0.00 Co CO A:Nco63 1.20 Co N3 A:Nco63 1.95 Co N3 A:Nco63 1.56 Co N2 A:Nco63 1.95 Co N2 A:Nco63 1.72 Co N5 A:Nco63 1.95 Co N5 A:Nco63 2.86 Co N4 A:Nco63 1.95 Co N4 A:Nco63 2.75 Co O A:Hoh165 4.15 Co O D:Hoh213 4.56 interactive model: Cobalt binding site 2 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 3fl6. 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: Xtr4, A: Nco63, A: Hoh165, A: Hoh206, conact list: Atom Atom Distance (A) Co OP1 A:Xtr4 4.80 Co N1 A:Nco63 1.81 Co N1 A:Nco63 1.94 Co N6 A:Nco63 3.00 Co N6 A:Nco63 1.94 Co CO A:Nco63 1.20 Co CO A:Nco63 0.00 Co N3 A:Nco63 2.68 Co N3 A:Nco63 1.95 Co N2 A:Nco63 2.67 Co N2 A:Nco63 1.95 Co N5 A:Nco63 1.20 Co N5 A:Nco63 1.95 Co N4 A:Nco63 1.82 Co N4 A:Nco63 1.95 Co O A:Hoh165 4.49 Co O A:Hoh206 4.80 interactive model: Cobalt binding site 3 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Cobalt in the PDB 3fl6. 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: B: Dc3, B: Da4, B: Nco61, B: Hoh106, B: Hoh122, B: Hoh133, B: Hoh176, conact list: Atom Atom Distance (A) Co O3' B:Dc3 4.75 Co OP1 B:Da4 4.00 Co P B:Da4 4.63 Co OP2 B:Da4 4.64 Co N1 B:Nco61 1.95 Co N6 B:Nco61 1.95 Co CO B:Nco61 0.00 Co N3 B:Nco61 1.95 Co N2 B:Nco61 1.95 Co N5 B:Nco61 1.95 Co N4 B:Nco61 1.95 Co O B:Hoh106 3.84 Co O B:Hoh122 4.44 Co O B:Hoh133 4.37 Co O B:Hoh176 4.66 interactive model: Cobalt binding site 4 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Cobalt in the PDB 3fl6. 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: B: Dc5, B: Nco65, conact list: Atom Atom Distance (A) Co OP1 B:Dc5 3.80 Co P B:Dc5 4.68 Co OP2 B:Dc5 4.49 Co N1 B:Nco65 1.94 Co N6 B:Nco65 1.95 Co CO B:Nco65 0.00 Co N3 B:Nco65 1.95 Co N2 B:Nco65 1.96 Co N5 B:Nco65 1.95 Co N4 B:Nco65 1.95 interactive model: Cobalt binding site 5 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Cobalt in the PDB 3fl6. 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: C: Dg7, C: Nco64, A: Hoh101, C: Hoh139, C: Hoh143, C: Hoh188, conact list: Atom Atom Distance (A) Co C5 C:Dg7 4.96 Co N7 C:Dg7 4.10 Co OP2 C:Dg7 4.84 Co O6 C:Dg7 4.44 Co N1 C:Nco64 1.95 Co N6 C:Nco64 1.94 Co CO C:Nco64 0.00 Co N3 C:Nco64 1.94 Co N2 C:Nco64 1.96 Co N5 C:Nco64 1.95 Co N4 C:Nco64 1.95 Co O A:Hoh101 3.78 Co O C:Hoh139 4.11 Co O C:Hoh143 4.60 Co O C:Hoh188 4.35 interactive model: Cobalt binding site 6 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Cobalt in the PDB 3fl6. 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: C: Nco66, C: Hoh189, conact list: Atom Atom Distance (A) Co N1 C:Nco66 1.95 Co N6 C:Nco66 1.95 Co CO C:Nco66 0.00 Co N3 C:Nco66 1.95 Co N2 C:Nco66 1.95 Co N5 C:Nco66 1.95 Co N4 C:Nco66 1.95 Co O C:Hoh189 4.08 interactive model: Cobalt binding site 7 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Cobalt in the PDB 3fl6. 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: C: Dc2, C: Nco67, conact list: Atom Atom Distance (A) Co OP1 C:Dc2 3.72 Co P C:Dc2 4.97 Co N1 C:Nco67 1.94 Co CO C:Nco67 0.00 Co N2 C:Nco67 1.94 interactive model: Cobalt binding site 8 out of 8 in 3fl6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Cobalt in the PDB 3fl6. 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: D: Dg2, D: Nco62, D: Hoh134, conact list: Atom Atom Distance (A) Co OP1 D:Dg2 4.33 Co C8 D:Dg2 4.94 Co C5 D:Dg2 4.90 Co N7 D:Dg2 4.05 Co O6 D:Dg2 4.50 Co N1 D:Nco62 1.95 Co N6 D:Nco62 1.94 Co CO D:Nco62 0.00 Co N3 D:Nco62 1.95 Co N2 D:Nco62 1.96 Co N5 D:Nco62 1.95 Co N4 D:Nco62 1.95 Co O D:Hoh134 4.94 interactive model: