Magnesium in the structure of Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase With Bound L-Gulonate 6-Phosphate (pdb 1kw1)

The binding sites of Magnesium atom in the structure of Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase With Bound L-Gulonate 6-Phosphate (pdb code 1kw1). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1kw1 structure was solved by E.WISE, W.S.YEW, P.C.BABBITT, J.A.GERLT, I.RAYMENT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.0-2.2 Space group C121 a (A) 123.978 b (A) 42.071 c (A) 91.837 alpha (°) 90.00 beta (°) 97.00 gamma (°) 90.00 Rfactor (%) 18 Rfree (%) 21.2 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1kw1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1kw1. 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: Ala9, A: Asp11, A: Glu33, A: Gly35, A: Thr36, A: Asp62, A: Lys64, A: Glu112, A: Lg6502, A: Hoh681, A: Hoh682, A: Hoh683, conact list: Atom Atom Distance (A) Mg CB A:Ala9 4.92 Mg OD2 A:Asp11 4.62 Mg OD1 A:Asp11 4.22 Mg CG A:Asp11 4.86 Mg OE1 A:Glu33 3.75 Mg OE2 A:Glu33 2.41 Mg CD A:Glu33 3.35 Mg CG A:Glu33 4.55 Mg C A:Gly35 4.89 Mg CA A:Gly35 4.28 Mg N A:Thr36 4.38 Mg OG1 A:Thr36 4.35 Mg CB A:Asp62 3.74 Mg OD2 A:Asp62 2.15 Mg OD1 A:Asp62 4.28 Mg CG A:Asp62 3.23 Mg NZ A:Lys64 3.94 Mg OE2 A:Glu112 4.97 Mg O5 A:Lg6502 3.96 Mg C1 A:Lg6502 3.89 Mg O3 A:Lg6502 2.56 Mg C2 A:Lg6502 4.07 Mg C5 A:Lg6502 4.37 Mg C4 A:Lg6502 3.54 Mg C3 A:Lg6502 3.43 Mg O2B A:Lg6502 3.65 Mg O4 A:Lg6502 2.56 Mg O A:Hoh681 2.36 Mg O A:Hoh682 2.55 Mg O A:Hoh683 4.05 interactive model: Magnesium binding site 2 out of 2 in 1kw1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1kw1. 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: Ala9, B: Asp11, B: Glu33, B: Gly35, B: Thr36, B: Asp62, B: Lys64, B: Lg6501, B: Hoh710, B: Hoh711, conact list: Atom Atom Distance (A) Mg CB B:Ala9 4.68 Mg OD2 B:Asp11 4.37 Mg OD1 B:Asp11 4.09 Mg CG B:Asp11 4.68 Mg OE1 B:Glu33 3.60 Mg OE2 B:Glu33 2.42 Mg CD B:Glu33 3.32 Mg CG B:Glu33 4.62 Mg C B:Gly35 4.96 Mg CA B:Gly35 4.32 Mg N B:Thr36 4.45 Mg OG1 B:Thr36 4.63 Mg CB B:Asp62 3.88 Mg OD2 B:Asp62 2.23 Mg OD1 B:Asp62 4.41 Mg CG B:Asp62 3.35 Mg NZ B:Lys64 4.08 Mg O5 B:Lg6501 3.92 Mg C1 B:Lg6501 3.97 Mg O3 B:Lg6501 2.50 Mg C2 B:Lg6501 4.11 Mg C5 B:Lg6501 4.34 Mg C4 B:Lg6501 3.51 Mg C3 B:Lg6501 3.43 Mg O2B B:Lg6501 3.80 Mg O4 B:Lg6501 2.51 Mg O B:Hoh710 2.36 Mg O B:Hoh711 2.41 interactive model: