Cobalt in the structure of Minimally Hinged Hairpin Ribozyme Incorporates ADE38(2AP) and 2',5'-Phosphodiester Linkage Mutations At the Active Site (pdb 3b91)

The binding sites of Cobalt atom in the structure of Minimally Hinged Hairpin Ribozyme Incorporates ADE38(2AP) and 2',5'-Phosphodiester Linkage Mutations At the Active Site (pdb code 3b91). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 3b91 structure was solved by C.MACELREVEY, J.KRUCINSKA, J.E.WEDEKIND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 31.0-2.8 Space group P6122 a (A) 94.030 b (A) 94.030 c (A) 134.290 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.6 Rfree (%) 24.3 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 3b91 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 3b91. 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: G11, B: G12, B: G13, A: So4103, B: Nco102, conact list: Atom Atom Distance (A) Co N7 B:G11 4.97 Co N7 B:G12 4.53 Co O6 B:G12 4.42 Co O6 B:G13 4.54 Co O2 A:So4103 4.44 Co N1 B:Nco102 2.02 Co N6 B:Nco102 2.03 Co CO B:Nco102 0.00 Co N3 B:Nco102 2.00 Co N2 B:Nco102 2.01 Co N5 B:Nco102 1.96 Co N4 B:Nco102 1.97 interactive model: Cobalt binding site 2 out of 2 in 3b91 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 3b91. 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: A20, B: G21, C: A40, C: U41, C: Nco101, conact list: Atom Atom Distance (A) Co OP2 B:A20 4.01 Co C6 B:G21 4.89 Co C5 B:G21 4.98 Co N7 B:G21 4.28 Co O6 B:G21 4.08 Co OP1 C:A40 4.02 Co P C:A40 4.76 Co OP2 C:A40 4.57 Co OP2 C:U41 4.01 Co N1 C:Nco101 2.02 Co N6 C:Nco101 2.02 Co CO C:Nco101 0.00 Co N3 C:Nco101 1.99 Co N2 C:Nco101 2.01 Co N5 C:Nco101 1.94 Co N4 C:Nco101 1.96 interactive model: