Magnesium in the structure of Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans (pdb 3my9)

The binding sites of Magnesium atom in the structure of Crystal Structure of A Muconate Cycloisomerase From Azorhizobium Caulinodans (pdb code 3my9). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3my9 structure was solved by C.E.QUARTARARO, U.RAMAGOPAL, J.B.BONANNO, M.RUTTER, K.T.BAIN, S.MILLER, R.TORO, J.M.SAUDER, S.K.BURLEY, S.C.ALMO, NEW YORK SGX RESEARCH CENTERFOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group I422 a (A) 127.993 b (A) 127.993 c (A) 98.036 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.2 Rfree (%) 25.4 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 3my9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3my9. 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: Phe236, A: Ala237, A: Ala238, A: Leu240, A: Asp241, A: Thr242, A: Asp266, A: Hoh380, A: Hoh381, A: Hoh382, A: Hoh383, A: Hoh384, A: Hoh400, conact list: Atom Atom Distance (A) Mg O A:Phe236 4.67 Mg O A:Ala237 2.02 Mg N A:Ala237 4.97 Mg C A:Ala237 3.11 Mg CB A:Ala237 4.29 Mg CA A:Ala237 3.69 Mg O A:Ala238 4.77 Mg N A:Ala238 4.25 Mg C A:Ala238 4.65 Mg CA A:Ala238 4.61 Mg O A:Leu240 2.07 Mg N A:Leu240 4.16 Mg CB A:Leu240 4.85 Mg C A:Leu240 3.30 Mg CA A:Leu240 4.23 Mg O A:Asp241 4.30 Mg N A:Asp241 4.24 Mg C A:Asp241 4.40 Mg CA A:Asp241 4.38 Mg O A:Thr242 4.28 Mg OD2 A:Asp266 4.11 Mg OD1 A:Asp266 4.30 Mg CG A:Asp266 4.58 Mg O A:Hoh380 2.12 Mg O A:Hoh381 1.99 Mg O A:Hoh382 2.19 Mg O A:Hoh383 2.14 Mg O A:Hoh384 4.19 Mg O A:Hoh400 4.24 interactive model: Magnesium binding site 2 out of 2 in 3my9 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3my9. 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: Asp196, A: Asn198, A: Glu222, A: Asp247, A: Glu248, A: Hoh386, A: Hoh387, A: Hoh388, A: Hoh389, A: Hoh407, conact list: Atom Atom Distance (A) Mg OD2 A:Asp196 4.62 Mg OD1 A:Asp196 4.15 Mg CG A:Asp196 4.81 Mg OD1 A:Asn198 4.54 Mg OE1 A:Glu222 4.12 Mg OE2 A:Glu222 2.19 Mg CD A:Glu222 3.24 Mg CG A:Glu222 3.97 Mg CB A:Asp247 3.65 Mg OD2 A:Asp247 2.01 Mg OD1 A:Asp247 4.22 Mg CG A:Asp247 3.13 Mg OE1 A:Glu248 4.04 Mg OE2 A:Glu248 3.99 Mg CD A:Glu248 4.43 Mg O A:Hoh386 2.14 Mg O A:Hoh387 2.27 Mg O A:Hoh388 2.05 Mg O A:Hoh389 2.05 Mg O A:Hoh407 3.81 interactive model: