Cobalt in the structure of Methylmalonyl-Coa Mutase H244A Mutant (pdb 1e1c)

The binding sites of Cobalt atom in the structure of Methylmalonyl-Coa Mutase H244A Mutant (pdb code 1e1c). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1e1c structure was solved by P.R.EVANS, N.H.THOMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.2-2.6 Space group P212121 a (A) 125.398 b (A) 161.829 c (A) 166.949 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.7 Rfree (%) 28.3 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 1e1c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1e1c. 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: B12800, A: Hoh2263, conact list: Atom Atom Distance (A) Co NE2 A:His610 2.32 Co ND1 A:His610 4.44 Co CD2 A:His610 3.20 Co CE1 A:His610 3.36 Co CG A:His610 4.39 Co C18 A:B12800 4.14 Co C11 A:B12800 2.63 Co C1 A:B12800 2.97 Co C8 A:B12800 4.09 Co C2 A:B12800 4.23 Co C46 A:B12800 4.74 Co N22 A:B12800 1.82 Co C17 A:B12800 4.16 Co N21 A:B12800 2.00 Co C12 A:B12800 3.93 Co C19 A:B12800 2.91 Co CO A:B12800 0.00 Co C15 A:B12800 3.28 Co C16 A:B12800 2.82 Co C6 A:B12800 3.00 Co C5 A:B12800 3.47 Co C4 A:B12800 3.04 Co C10 A:B12800 3.01 Co C13 A:B12800 3.98 Co C20 A:B12800 3.57 Co C48 A:B12800 4.63 Co C42 A:B12800 4.71 Co C9 A:B12800 2.66 Co C54 A:B12800 4.63 Co C14 A:B12800 2.69 Co N24 A:B12800 1.82 Co N23 A:B12800 1.56 Co C7 A:B12800 4.24 Co C53 A:B12800 4.76 Co C3 A:B12800 4.33 Co C26 A:B12800 4.44 Co O A:Hoh2263 4.96 interactive model: Cobalt binding site 2 out of 2 in 1e1c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1e1c. 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: B12800, C: Hoh2475, conact list: Atom Atom Distance (A) Co NE2 C:His610 2.29 Co ND1 C:His610 4.34 Co CD2 C:His610 3.35 Co CE1 C:His610 3.18 Co CG C:His610 4.44 Co C18 C:B12800 4.10 Co C11 C:B12800 2.65 Co C1 C:B12800 2.91 Co C8 C:B12800 4.00 Co C2 C:B12800 4.15 Co C46 C:B12800 4.75 Co N22 C:B12800 1.73 Co C35 C:B12800 4.94 Co C17 C:B12800 4.21 Co N21 C:B12800 1.91 Co C12 C:B12800 4.02 Co C19 C:B12800 2.86 Co C41 C:B12800 4.86 Co CO C:B12800 0.00 Co C15 C:B12800 3.43 Co C16 C:B12800 2.88 Co C6 C:B12800 2.93 Co C5 C:B12800 3.42 Co C4 C:B12800 2.92 Co C10 C:B12800 2.93 Co C13 C:B12800 4.13 Co C20 C:B12800 3.71 Co C48 C:B12800 4.79 Co C42 C:B12800 4.55 Co C9 C:B12800 2.58 Co C54 C:B12800 4.62 Co C14 C:B12800 2.88 Co N24 C:B12800 1.86 Co N23 C:B12800 1.68 Co C7 C:B12800 4.18 Co C53 C:B12800 4.91 Co C3 C:B12800 4.18 Co C26 C:B12800 4.35 Co O C:Hoh2475 2.74 interactive model: