Magnesium in the structure of Plp-Dependent Acyl-Coa Transferase Cqsa (pdb 3kki)

The binding sites of Magnesium atom in the structure of Plp-Dependent Acyl-Coa Transferase Cqsa (pdb code 3kki). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3kki structure was solved by R.C.KELLY, P.D.JEFFREY, F.M.HUGHSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.8-1.8 Space group P21212 a (A) 70.621 b (A) 177.443 c (A) 70.677 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.7 Rfree (%) 23.4 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 3kki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3kki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn47, A: His133, A: Ser177, A: His205, A: Lys236, A: Phe345, A: Arg358, A: Plp390, A: Hoh449, A: Hoh461, A: Hoh490, B: Hoh460, B: Hoh546, conact list: Atom Atom Distance (A) Mg ND2 A:Asn47 4.57 Mg OD1 A:Asn47 4.56 Mg CG A:Asn47 4.92 Mg NE2 A:His133 4.48 Mg CD2 A:His133 4.65 Mg CB A:Ser177 3.97 Mg OG A:Ser177 4.63 Mg NE2 A:His205 3.79 Mg CE1 A:His205 3.88 Mg CE A:Lys236 4.50 Mg NZ A:Lys236 4.09 Mg CZ A:Phe345 4.61 Mg CE1 A:Phe345 4.90 Mg CZ A:Arg358 4.21 Mg NH2 A:Arg358 4.15 Mg NH1 A:Arg358 3.34 Mg O4A A:Plp390 3.86 Mg O3 A:Plp390 2.73 Mg C4A A:Plp390 3.44 Mg C4 A:Plp390 4.17 Mg C3 A:Plp390 3.86 Mg O A:Hoh449 2.56 Mg O A:Hoh461 4.40 Mg O A:Hoh490 4.29 Mg O B:Hoh460 4.91 Mg O B:Hoh546 4.05 interactive model: Magnesium binding site 2 out of 2 in 3kki Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3kki. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asn47, B: His133, B: Ser177, B: His205, B: Lys236, B: Phe345, B: Arg358, B: Plp390, B: Hoh470, B: Hoh476, conact list: Atom Atom Distance (A) Mg ND2 B:Asn47 4.67 Mg OD1 B:Asn47 4.56 Mg CG B:Asn47 4.95 Mg NE2 B:His133 4.44 Mg CD2 B:His133 4.61 Mg CB B:Ser177 3.87 Mg OG B:Ser177 4.60 Mg CA B:Ser177 4.95 Mg NE2 B:His205 3.60 Mg CD2 B:His205 4.94 Mg CE1 B:His205 3.71 Mg CE B:Lys236 4.18 Mg NZ B:Lys236 3.90 Mg CZ B:Phe345 4.82 Mg CZ B:Arg358 4.38 Mg NH2 B:Arg358 4.33 Mg NH1 B:Arg358 3.50 Mg O4A B:Plp390 3.53 Mg O3 B:Plp390 2.60 Mg C2 B:Plp390 4.98 Mg C4A B:Plp390 3.45 Mg C4 B:Plp390 4.10 Mg C3 B:Plp390 3.77 Mg O B:Hoh470 4.39 Mg O B:Hoh476 4.59 interactive model: