Cobalt in the structure of Cobalt Substitution of Mouse R2 Ribonucleotide Reductase to Model the Reactive Diferrous State (pdb 1h0n)

The binding sites of Cobalt atom in the structure of Cobalt Substitution of Mouse R2 Ribonucleotide Reductase to Model the Reactive Diferrous State (pdb code 1h0n). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1h0n structure was solved by K.R.STRAND, S.KARLSEN, K.K.ANDERSSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.4 Space group C2221 a (A) 75.100 b (A) 106.860 c (A) 91.460 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.8 Rfree (%) 29.7 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 1h0n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1h0n. 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: Asp139, A: Glu170, A: His173, A: Glu233, A: Ile263, A: Glu267, A: His270, A: Co1354, A: Hoh2081, conact list: Atom Atom Distance (A) Co CB A:Asp139 3.93 Co OD2 A:Asp139 1.76 Co OD1 A:Asp139 2.47 Co CG A:Asp139 2.42 Co CA A:Asp139 4.96 Co OE1 A:Glu170 2.18 Co CB A:Glu170 4.92 Co OE2 A:Glu170 3.45 Co CD A:Glu170 3.18 Co CG A:Glu170 4.55 Co CA A:Glu170 4.58 Co NE2 A:His173 4.14 Co CB A:His173 3.65 Co ND1 A:His173 2.11 Co CD2 A:His173 4.28 Co CE1 A:His173 2.96 Co CG A:His173 3.21 Co OE2 A:Glu233 4.15 Co CG2 A:Ile263 4.64 Co OE1 A:Glu267 2.89 Co OE2 A:Glu267 2.54 Co CD A:Glu267 2.79 Co CG A:Glu267 3.89 Co ND1 A:His270 4.62 Co CE1 A:His270 4.62 Co CO A:Co1354 3.40 Co O A:Hoh2081 3.96 interactive model: Cobalt binding site 2 out of 2 in 1h0n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1h0n. 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: Asp139, A: Val142, A: Gln166, A: Glu170, A: His173, A: Glu233, A: Glu267, A: His270, A: Co1353, conact list: Atom Atom Distance (A) Co OD2 A:Asp139 4.73 Co OD1 A:Asp139 4.11 Co CG A:Asp139 4.75 Co CG2 A:Val142 4.94 Co CG1 A:Val142 4.51 Co NE2 A:Gln166 3.73 Co CD A:Gln166 4.62 Co CG A:Gln166 4.74 Co OE1 A:Glu170 3.32 Co OE2 A:Glu170 2.04 Co CD A:Glu170 3.02 Co CG A:Glu170 4.35 Co ND1 A:His173 4.92 Co OE1 A:Glu233 2.36 Co CB A:Glu233 4.36 Co OE2 A:Glu233 1.73 Co CD A:Glu233 2.16 Co CG A:Glu233 3.51 Co N A:Glu267 4.96 Co OE1 A:Glu267 1.83 Co CB A:Glu267 4.59 Co OE2 A:Glu267 3.22 Co CD A:Glu267 2.81 Co CG A:Glu267 4.17 Co CA A:Glu267 4.40 Co NE2 A:His270 4.30 Co CB A:His270 3.62 Co ND1 A:His270 2.23 Co CD2 A:His270 4.38 Co CE1 A:His270 3.14 Co CG A:His270 3.28 Co CO A:Co1353 3.40 interactive model: