Cobalt in the structure of Structure of the Coenzyme B12 Dependent Enzyme Glutamate Mutase From Clostridium Cochlearium (pdb 1ccw)

The binding sites of Cobalt atom in the structure of Structure of the Coenzyme B12 Dependent Enzyme Glutamate Mutase From Clostridium Cochlearium (pdb code 1ccw). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1ccw structure was solved by R.REITZER, K.GRUBER, C.KRATKY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-1.6 Space group P1211 a (A) 64.430 b (A) 113.050 c (A) 108.300 alpha (°) 90.00 beta (°) 95.79 gamma (°) 90.00 Rfactor (%) 13.7 Rfree (%) 17.3 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 1ccw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1ccw. 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: His16, A: Cnc800, A: Hoh844, B: Hoh940, conact list: Atom Atom Distance (A) Co NE2 A:His16 2.29 Co ND1 A:His16 4.35 Co CD2 A:His16 3.35 Co CE1 A:His16 3.19 Co CG A:His16 4.47 Co C18 A:Cnc800 4.09 Co C11 A:Cnc800 2.89 Co C1 A:Cnc800 2.88 Co C8 A:Cnc800 4.22 Co C2 A:Cnc800 4.10 Co N1A A:Cnc800 3.07 Co C46 A:Cnc800 4.84 Co N22 A:Cnc800 1.93 Co C35 A:Cnc800 4.88 Co C17 A:Cnc800 4.19 Co N21 A:Cnc800 1.89 Co C12 A:Cnc800 4.21 Co C19 A:Cnc800 2.79 Co C41 A:Cnc800 4.94 Co CO A:Cnc800 0.00 Co C15 A:Cnc800 3.39 Co C37 A:Cnc800 4.70 Co C16 A:Cnc800 2.93 Co C6 A:Cnc800 3.00 Co C5 A:Cnc800 3.37 Co O39 A:Cnc800 4.74 Co C4 A:Cnc800 2.92 Co C10 A:Cnc800 3.23 Co C13 A:Cnc800 4.22 Co C20 A:Cnc800 3.57 Co C48 A:Cnc800 4.80 Co C9 A:Cnc800 2.87 Co C54 A:Cnc800 4.87 Co C14 A:Cnc800 2.95 Co N24 A:Cnc800 1.88 Co N23 A:Cnc800 1.92 Co C7 A:Cnc800 4.24 Co C53 A:Cnc800 4.89 Co C3 A:Cnc800 4.19 Co C26 A:Cnc800 4.51 Co C1A A:Cnc800 1.95 Co O A:Hoh844 4.43 Co O B:Hoh940 4.78 interactive model: Cobalt binding site 2 out of 2 in 1ccw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1ccw. 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: His16, C: Cnc800, C: Hoh849, D: Hoh912, conact list: Atom Atom Distance (A) Co NE2 C:His16 2.27 Co ND1 C:His16 4.33 Co CD2 C:His16 3.32 Co CE1 C:His16 3.16 Co CG C:His16 4.44 Co C18 C:Cnc800 4.10 Co C11 C:Cnc800 2.86 Co C1 C:Cnc800 2.89 Co C8 C:Cnc800 4.20 Co C2 C:Cnc800 4.12 Co N1A C:Cnc800 3.08 Co C46 C:Cnc800 4.81 Co N22 C:Cnc800 1.91 Co C35 C:Cnc800 4.86 Co C17 C:Cnc800 4.20 Co N21 C:Cnc800 1.89 Co C12 C:Cnc800 4.18 Co C19 C:Cnc800 2.81 Co C41 C:Cnc800 4.89 Co CO C:Cnc800 0.00 Co C15 C:Cnc800 3.37 Co C37 C:Cnc800 4.67 Co C16 C:Cnc800 2.93 Co C6 C:Cnc800 2.99 Co C5 C:Cnc800 3.36 Co O39 C:Cnc800 4.69 Co C4 C:Cnc800 2.91 Co C10 C:Cnc800 3.22 Co C13 C:Cnc800 4.20 Co C20 C:Cnc800 3.57 Co C48 C:Cnc800 4.77 Co C9 C:Cnc800 2.86 Co C54 C:Cnc800 4.88 Co C14 C:Cnc800 2.94 Co N24 C:Cnc800 1.89 Co N23 C:Cnc800 1.89 Co C7 C:Cnc800 4.24 Co C53 C:Cnc800 4.86 Co C3 C:Cnc800 4.20 Co C26 C:Cnc800 4.54 Co C1A C:Cnc800 1.95 Co O C:Hoh849 4.52 Co O D:Hoh912 4.76 interactive model: