Cobalt in the structure of Crystal Structure of Homocitrate Synthase From Thermus Thermophilus Complexed With Lys (pdb 3a9i)

The binding sites of Cobalt atom in the structure of Crystal Structure of Homocitrate Synthase From Thermus Thermophilus Complexed With Lys (pdb code 3a9i). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 3a9i structure was solved by T.OKADA, T.TOMITA, T.KUZUYAMA, M.NISHIYAMA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.6-1.8 Space group C2221 a (A) 80.281 b (A) 96.025 c (A) 77.082 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.1 Rfree (%) 21.3 Cobalt Binding Sites: Cobalt binding site 1 out of 1 in 3a9i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 3a9i. 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: Glu13, A: His195, A: His197, A: Ile231, A: Lys378, A: Hoh406, A: Hoh442, conact list: Atom Atom Distance (A) Co OE1 A:Glu13 2.08 Co CB A:Glu13 4.85 Co OE2 A:Glu13 3.48 Co CD A:Glu13 3.09 Co CG A:Glu13 4.35 Co NE2 A:His195 2.29 Co ND1 A:His195 4.27 Co CD2 A:His195 3.31 Co CE1 A:His195 3.12 Co CG A:His195 4.39 Co NE2 A:His197 2.08 Co ND1 A:His197 4.19 Co CD2 A:His197 3.02 Co CE1 A:His197 3.10 Co CG A:His197 4.18 Co CG2 A:Ile231 4.09 Co O A:Lys378 2.15 Co N A:Lys378 2.15 Co CB A:Lys378 3.75 Co C A:Lys378 2.92 Co CA A:Lys378 3.04 Co OXT A:Lys378 4.10 Co O A:Hoh406 2.34 Co O A:Hoh442 4.39 interactive model: