Cobalt in the structure of Methylmalonyl-Coa Mutase, Y89F Mutant, Substrate Complex (pdb 5req)

The binding sites of Cobalt atom in the structure of Methylmalonyl-Coa Mutase, Y89F Mutant, Substrate Complex (pdb code 5req). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 5req structure was solved by P.R.EVANS, N.H.THOMAE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group P1211 a (A) 120.200 b (A) 161.890 c (A) 88.700 alpha (°) 90.00 beta (°) 104.88 gamma (°) 90.00 Rfactor (%) 24.6 Rfree (%) 29.2 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 5req Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 5req. 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: His610, A: B121800, conact list: Atom Atom Distance (A) Co NE2 A:His610 2.43 Co ND1 A:His610 4.54 Co CD2 A:His610 3.21 Co CE1 A:His610 3.51 Co CG A:His610 4.45 Co C18 A:B121800 4.11 Co C11 A:B121800 2.80 Co C1 A:B121800 2.78 Co C8 A:B121800 4.31 Co C2 A:B121800 4.03 Co C46 A:B121800 4.70 Co N22 A:B121800 1.99 Co C35 A:B121800 4.78 Co C17 A:B121800 4.22 Co N21 A:B121800 1.69 Co C12 A:B121800 4.12 Co C19 A:B121800 2.86 Co CO A:B121800 0.00 Co C15 A:B121800 3.44 Co C16 A:B121800 2.95 Co C6 A:B121800 3.02 Co C5 A:B121800 3.26 Co C4 A:B121800 2.72 Co C10 A:B121800 3.26 Co C13 A:B121800 4.16 Co C20 A:B121800 3.54 Co C48 A:B121800 4.75 Co C42 A:B121800 4.63 Co C9 A:B121800 2.95 Co C54 A:B121800 4.68 Co C14 A:B121800 2.90 Co N24 A:B121800 1.90 Co N23 A:B121800 1.80 Co C7 A:B121800 4.34 Co C53 A:B121800 4.94 Co C3 A:B121800 4.02 Co C26 A:B121800 4.44 interactive model: Cobalt binding site 2 out of 2 in 5req Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 5req. 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: His610, C: B122800, conact list: Atom Atom Distance (A) Co NE2 C:His610 2.36 Co ND1 C:His610 4.44 Co CD2 C:His610 3.25 Co CE1 C:His610 3.37 Co CG C:His610 4.43 Co C18 C:B122800 4.08 Co C11 C:B122800 2.88 Co C1 C:B122800 2.76 Co C8 C:B122800 4.33 Co C2 C:B122800 4.01 Co C46 C:B122800 4.78 Co N22 C:B122800 2.02 Co C35 C:B122800 4.78 Co C17 C:B122800 4.20 Co N21 C:B122800 1.67 Co C12 C:B122800 4.19 Co C19 C:B122800 2.83 Co CO C:B122800 0.00 Co C15 C:B122800 3.42 Co C30 C:B122800 4.98 Co C16 C:B122800 2.91 Co C6 C:B122800 3.02 Co C5 C:B122800 3.26 Co C4 C:B122800 2.71 Co C10 C:B122800 3.28 Co C13 C:B122800 4.19 Co C20 C:B122800 3.47 Co C48 C:B122800 4.77 Co C42 C:B122800 4.64 Co C9 C:B122800 2.98 Co C54 C:B122800 4.73 Co C14 C:B122800 2.92 Co N24 C:B122800 1.89 Co N23 C:B122800 1.86 Co C7 C:B122800 4.36 Co C53 C:B122800 4.92 Co C3 C:B122800 4.00 Co C26 C:B122800 4.44 interactive model: