Cobalt in the structure of Crystal Structure of the Bacillus Subtilis N-Acetyltransferase Ylbp Protein in Complex With Coenzyme-A (pdb 2pr1)

The binding sites of Cobalt atom in the structure of Crystal Structure of the Bacillus Subtilis N-Acetyltransferase Ylbp Protein in Complex With Coenzyme-A (pdb code 2pr1). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 2pr1 structure was solved by G.MINASOV, L.SHUVALOVA, O.KIRYUKHINA, I.I.VORONTSOV, F.R.COLLART, A.JOACHIMIAK, W.F.ANDERSON, MIDWEST CENTER FOR STRUCTURAL GENOMICS(MCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-3.2 Space group P6322 a (A) 148.572 b (A) 148.572 c (A) 102.290 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.5 Rfree (%) 25.5 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 2pr1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 2pr1. 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: B: Asn127, B: Lys129, B: Ile145, B: Trp146, B: His147, B: Asp149, conact list: Atom Atom Distance (A) Co O B:Asn127 4.08 Co CG B:Lys129 4.46 Co O B:Ile145 4.15 Co C B:Ile145 4.90 Co N B:Trp146 4.91 Co CB B:Trp146 4.70 Co CD1 B:Trp146 4.18 Co C B:Trp146 4.13 Co CG B:Trp146 4.53 Co CA B:Trp146 3.93 Co NE1 B:Trp146 4.84 Co O B:His147 3.65 Co NE2 B:His147 3.73 Co N B:His147 3.40 Co CB B:His147 4.77 Co ND1 B:His147 4.79 Co CD2 B:His147 3.33 Co C B:His147 4.45 Co CE1 B:His147 4.60 Co CG B:His147 4.10 Co CA B:His147 4.35 Co OD2 B:Asp149 4.36 interactive model: Cobalt binding site 2 out of 2 in 2pr1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 2pr1. 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: B: Thr2, B: Val4, conact list: Atom Atom Distance (A) Co O B:Thr2 4.43 Co O B:Val4 4.77 interactive model: