Cobalt in the structure of Cellobiohydrolase CEL7A (E223S, A224H, L225V, T226A, D262G) Mutant (pdb 1egn)

The binding sites of Cobalt atom in the structure of Cellobiohydrolase CEL7A (E223S, A224H, L225V, T226A, D262G) Mutant (pdb code 1egn). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1egn structure was solved by J.STAHLBERG, M.HARRIS, T.A.JONES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.6 Space group I222 a (A) 83.110 b (A) 83.340 c (A) 110.610 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 24 Rfree (%) 27 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 1egn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1egn. 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: Glu295, A: Ser297, A: Ala299, A: Asn301, A: Glu325, A: Hoh597, A: Hoh599, A: Hoh742, conact list: Atom Atom Distance (A) Co OE1 A:Glu295 2.25 Co CB A:Glu295 4.91 Co OE2 A:Glu295 2.26 Co CD A:Glu295 2.56 Co CG A:Glu295 4.06 Co OG A:Ser297 4.69 Co CB A:Ala299 4.73 Co ND2 A:Asn301 4.04 Co OE1 A:Glu325 3.47 Co OE2 A:Glu325 2.18 Co CD A:Glu325 3.16 Co CG A:Glu325 4.50 Co O A:Hoh597 4.20 Co O A:Hoh599 4.88 Co O A:Hoh742 3.78 interactive model: Cobalt binding site 2 out of 2 in 1egn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1egn. 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: His206, A: Glu239, conact list: Atom Atom Distance (A) Co NE2 A:His206 2.21 Co ND1 A:His206 4.24 Co CD2 A:His206 3.25 Co CE1 A:His206 3.09 Co CG A:His206 4.35 Co OE1 A:Glu239 2.47 Co OE2 A:Glu239 3.25 Co CD A:Glu239 3.22 Co CG A:Glu239 4.66 interactive model: