Magnesium in the structure of Stepwise Introduction Of Zinc Binding Site Into Porphobilinogen Synthase of Pseudomonas Aeruginosa (Mutations A129C and D131C) (pdb 1w56)

The binding sites of Magnesium atom in the structure of Stepwise Introduction Of Zinc Binding Site Into Porphobilinogen Synthase of Pseudomonas Aeruginosa (Mutations A129C and D131C) (pdb code 1w56). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1w56 structure was solved by F.FRERE, H.REENTS, W.-D.SCHUBERT, D.W.HEINZ, D.JAHN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 87.7-1.7 Space group P4212 a (A) 126.320 b (A) 126.320 c (A) 85.628 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 13.8 Rfree (%) 18.2 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 1w56 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1w56. 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: Met177, A: Met178, A: Asp179, A: Arg181, A: Ser203, A: Glu245, A: Asp249, A: Hoh2246, A: Hoh2247, A: Hoh2296, A: Hoh2297, A: Hoh2298, A: Hoh2299, A: Hoh2302, A: Hoh2303, B: Hoh2030, conact list: Atom Atom Distance (A) Mg CE A:Met177 4.87 Mg SD A:Met177 4.81 Mg O A:Met178 4.27 Mg OD1 A:Asp179 4.48 Mg CA A:Asp179 4.76 Mg NH1 A:Arg181 3.82 Mg O A:Ser203 4.44 Mg O A:Glu245 4.51 Mg OE1 A:Glu245 1.95 Mg CB A:Glu245 4.56 Mg OE2 A:Glu245 3.41 Mg CD A:Glu245 3.03 Mg C A:Glu245 4.99 Mg CG A:Glu245 4.38 Mg CA A:Glu245 4.70 Mg OD2 A:Asp249 4.25 Mg OD1 A:Asp249 3.90 Mg CG A:Asp249 4.48 Mg O A:Hoh2246 4.07 Mg O A:Hoh2247 2.11 Mg O A:Hoh2296 2.08 Mg O A:Hoh2297 2.03 Mg O A:Hoh2298 2.14 Mg O A:Hoh2299 2.03 Mg O A:Hoh2302 4.10 Mg O A:Hoh2303 4.25 Mg O B:Hoh2030 4.80 interactive model: Magnesium binding site 2 out of 3 in 1w56 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1w56. 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: Met177, B: Met178, B: Asp179, B: Arg181, B: Ser203, B: Glu245, B: Asp249, A: Hoh2015, B: Hoh2239, B: Hoh2240, B: Hoh2242, B: Hoh2280, B: Hoh2282, B: Hoh2283, B: Hoh2286, B: Hoh2288, conact list: Atom Atom Distance (A) Mg SD B:Met177 4.82 Mg O B:Met178 4.30 Mg OD1 B:Asp179 4.46 Mg CA B:Asp179 4.77 Mg NH1 B:Arg181 3.78 Mg O B:Ser203 4.50 Mg O B:Glu245 4.52 Mg OE1 B:Glu245 2.00 Mg CB B:Glu245 4.55 Mg OE2 B:Glu245 3.44 Mg CD B:Glu245 3.02 Mg C B:Glu245 4.99 Mg CG B:Glu245 4.36 Mg CA B:Glu245 4.69 Mg OD2 B:Asp249 4.27 Mg OD1 B:Asp249 3.80 Mg CG B:Asp249 4.42 Mg O A:Hoh2015 4.78 Mg O B:Hoh2239 4.04 Mg O B:Hoh2240 2.08 Mg O B:Hoh2242 2.13 Mg O B:Hoh2280 2.10 Mg O B:Hoh2282 2.18 Mg O B:Hoh2283 2.06 Mg O B:Hoh2286 4.08 Mg O B:Hoh2288 4.21 interactive model: Magnesium binding site 3 out of 3 in 1w56 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1w56. 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: Asn49, B: Asp66, B: Gln67, B: Hoh2091, B: Hoh2092, B: Hoh2119, B: Hoh2121, conact list: Atom Atom Distance (A) Mg CB B:Asn49 4.55 Mg ND2 B:Asn49 4.00 Mg OD1 B:Asn49 2.28 Mg CG B:Asn49 3.40 Mg OD2 B:Asp66 4.21 Mg NE2 B:Gln67 4.08 Mg O B:Hoh2091 2.32 Mg O B:Hoh2092 2.11 Mg O B:Hoh2119 2.20 Mg O B:Hoh2121 2.37 interactive model: