Magnesium in the structure of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 (pdb 2qdy)

The binding sites of Magnesium atom in the structure of Crystal Structure of Fe-Type Nhase From Rhodococcus Erythropolis AJ270 (pdb code 2qdy). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2qdy structure was solved by L.SONG, J.SHI, Z.XUE, M.-X.WANG, S.QIAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.3-1.3 Space group C121 a (A) 114.064 b (A) 60.068 c (A) 81.761 alpha (°) 90.00 beta (°) 125.15 gamma (°) 90.00 Rfactor (%) 12.9 Rfree (%) 15.7 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 2qdy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2qdy. 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: Gly181, A: Gln186, A: Hoh2067, A: Hoh2179, A: Hoh2238, conact list: Atom Atom Distance (A) Mg O A:Gly181 3.89 Mg C A:Gly181 4.76 Mg NE2 A:Gln186 4.92 Mg OE1 A:Gln186 4.34 Mg O A:Hoh2067 4.02 Mg O A:Hoh2179 3.26 Mg O A:Hoh2238 2.18 interactive model: Magnesium binding site 2 out of 3 in 2qdy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2qdy. 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: Asp2, B: Gly3, B: Asp6, B: Ala144, B: Hoh2020, B: Hoh2053, B: Hoh2059, B: Hoh2064, B: Hoh2073, B: Hoh2077, B: Hoh2091, B: Hoh2224, conact list: Atom Atom Distance (A) Mg O B:Asp2 4.48 Mg CB B:Asp2 4.57 Mg C B:Asp2 4.59 Mg OD1 B:Asp2 4.60 Mg CG B:Asp2 4.65 Mg CA B:Asp2 4.66 Mg O B:Gly3 4.48 Mg O B:Asp6 4.36 Mg CB B:Asp6 4.52 Mg OD2 B:Asp6 4.38 Mg CG B:Asp6 4.65 Mg CB B:Ala144 4.44 Mg O B:Hoh2020 2.33 Mg O B:Hoh2053 4.39 Mg O B:Hoh2059 1.88 Mg O B:Hoh2064 2.04 Mg O B:Hoh2073 1.98 Mg O B:Hoh2077 4.11 Mg O B:Hoh2091 2.59 Mg O B:Hoh2224 2.12 interactive model: Magnesium binding site 3 out of 3 in 2qdy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2qdy. 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: Glu96, B: Gol1600, B: Hoh2071, B: Hoh2155, B: Hoh2214, B: Hoh2227, B: Hoh2252, conact list: Atom Atom Distance (A) Mg OE1 B:Glu96 4.23 Mg O2 B:Gol1600 3.63 Mg C3 B:Gol1600 4.38 Mg O3 B:Gol1600 3.64 Mg C2 B:Gol1600 4.56 Mg O B:Hoh2071 4.45 Mg O B:Hoh2155 4.55 Mg O B:Hoh2214 1.80 Mg O B:Hoh2227 2.07 Mg O B:Hoh2252 2.35 interactive model: