Cobalt in the structure of Crystal Structure Of the Co(II)-Bound Glyoxalase I of Escherichia Coli (pdb 1fa6)

The binding sites of Cobalt atom in the structure of Crystal Structure Of the Co(II)-Bound Glyoxalase I of Escherichia Coli (pdb code 1fa6). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1fa6 structure was solved by M.M.HE, S.L.CLUGSTON, J.F.HONEK, B.W.MATTHEWS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.9 Space group P1211 a (A) 46.090 b (A) 56.570 c (A) 46.750 alpha (°) 90.00 beta (°) 95.54 gamma (°) 90.00 Rfactor (%) 16.9 Rfree (%) 25.4 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 1fa6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1fa6. 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: His5, A: Met7, A: Glu56, B: His74, B: Ala76, B: Glu122, A: Hoh1247, A: Hoh1292, A: Hoh1295, B: Hoh217, B: Hoh254, conact list: Atom Atom Distance (A) Co NE2 A:His5 2.24 Co ND1 A:His5 4.26 Co CD2 A:His5 3.33 Co CE1 A:His5 3.07 Co CG A:His5 4.39 Co CB A:Met7 4.45 Co CG A:Met7 4.80 Co OE1 A:Glu56 2.12 Co CB A:Glu56 4.74 Co OE2 A:Glu56 3.52 Co CD A:Glu56 3.12 Co CG A:Glu56 4.48 Co NE2 B:His74 2.34 Co ND1 B:His74 4.43 Co CD2 B:His74 3.38 Co CE1 B:His74 3.25 Co CG B:His74 4.51 Co CB B:Ala76 4.36 Co OE1 B:Glu122 2.12 Co CB B:Glu122 4.61 Co OE2 B:Glu122 3.73 Co CD B:Glu122 3.20 Co CG B:Glu122 4.48 Co O A:Hoh1247 4.10 Co O A:Hoh1292 2.22 Co O A:Hoh1295 4.97 Co O B:Hoh217 2.41 Co O B:Hoh254 3.64 interactive model: Cobalt binding site 2 out of 2 in 1fa6 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1fa6. 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: His74, A: Ala76, A: Glu122, B: His5, B: Met7, B: Glu56, A: Hoh1267, B: Hoh178, B: Hoh228, B: Hoh267, conact list: Atom Atom Distance (A) Co NE2 A:His74 2.37 Co ND1 A:His74 4.36 Co CD2 A:His74 3.51 Co CE1 A:His74 3.13 Co CG A:His74 4.55 Co CB A:Ala76 4.33 Co OE1 A:Glu122 2.31 Co CB A:Glu122 4.72 Co OE2 A:Glu122 3.37 Co CD A:Glu122 3.13 Co CG A:Glu122 4.49 Co NE2 B:His5 2.20 Co ND1 B:His5 4.25 Co CD2 B:His5 3.25 Co CE1 B:His5 3.09 Co CG B:His5 4.34 Co CB B:Met7 4.57 Co CG B:Met7 4.94 Co OE1 B:Glu56 2.20 Co CB B:Glu56 4.75 Co OE2 B:Glu56 3.66 Co CD B:Glu56 3.23 Co CG B:Glu56 4.54 Co O A:Hoh1267 2.33 Co O B:Hoh178 4.84 Co O B:Hoh228 4.05 Co O B:Hoh267 2.04 interactive model: