Magnesium in the structure of Structure of the Aeropyrum Pernix ORC2 Protein (Adpnp-Adp Complexes) (pdb 1w5t)

The binding sites of Magnesium atom in the structure of Structure of the Aeropyrum Pernix ORC2 Protein (Adpnp-Adp Complexes) (pdb code 1w5t). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1w5t structure was solved by M.R.SINGLETON, R.MORALES, I.GRAINGE, N.COOK, M.N.ISUPOV, D.B.WIGLEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.4 Space group P31 a (A) 61.489 b (A) 61.489 c (A) 267.865 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.1 Rfree (%) 27.9 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 1w5t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1w5t. 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: Lys65, A: Thr66, A: Asp145, A: Glu146, A: Arg260, A: Anp700, A: Hoh2022, A: Hoh2029, A: Hoh2031, A: Hoh2063, conact list: Atom Atom Distance (A) Mg CB A:Lys65 4.67 Mg CE A:Lys65 4.68 Mg N A:Thr66 4.07 Mg CB A:Thr66 3.42 Mg CG2 A:Thr66 4.39 Mg OG1 A:Thr66 2.28 Mg CA A:Thr66 4.33 Mg OD2 A:Asp145 4.16 Mg OD1 A:Asp145 4.38 Mg CG A:Asp145 4.72 Mg OE1 A:Glu146 4.43 Mg NH1 A:Arg260 4.92 Mg PG A:Anp700 3.63 Mg O2G A:Anp700 2.33 Mg PA A:Anp700 4.80 Mg O2B A:Anp700 4.38 Mg O3A A:Anp700 4.57 Mg N3B A:Anp700 3.72 Mg O3G A:Anp700 4.72 Mg O2A A:Anp700 4.15 Mg O1B A:Anp700 2.15 Mg PB A:Anp700 3.42 Mg O1G A:Anp700 4.53 Mg O A:Hoh2022 4.29 Mg O A:Hoh2029 2.15 Mg O A:Hoh2031 4.60 Mg O A:Hoh2063 2.20 interactive model: Magnesium binding site 2 out of 3 in 1w5t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1w5t. 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: Lys65, B: Thr66, B: Asp145, B: Glu146, B: Arg260, B: Anp700, B: Hoh2014, B: Hoh2015, B: Hoh2040, conact list: Atom Atom Distance (A) Mg CB B:Lys65 4.68 Mg CE B:Lys65 4.60 Mg N B:Thr66 4.13 Mg CB B:Thr66 3.43 Mg CG2 B:Thr66 4.41 Mg OG1 B:Thr66 2.21 Mg CA B:Thr66 4.35 Mg OD2 B:Asp145 4.05 Mg OD1 B:Asp145 4.47 Mg CG B:Asp145 4.69 Mg OE1 B:Glu146 4.36 Mg NH1 B:Arg260 5.00 Mg PG B:Anp700 3.63 Mg O2G B:Anp700 2.24 Mg PA B:Anp700 4.89 Mg O2B B:Anp700 4.36 Mg O3A B:Anp700 4.61 Mg N3B B:Anp700 3.86 Mg O3G B:Anp700 4.76 Mg O2A B:Anp700 4.30 Mg O1B B:Anp700 2.03 Mg PB B:Anp700 3.43 Mg O1G B:Anp700 4.59 Mg O B:Hoh2014 2.28 Mg O B:Hoh2015 2.55 Mg O B:Hoh2040 1.97 interactive model: Magnesium binding site 3 out of 3 in 1w5t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1w5t. 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: C: Lys65, C: Thr66, C: Asp145, C: Glu146, C: Adp700, conact list: Atom Atom Distance (A) Mg CB C:Lys65 4.87 Mg CE C:Lys65 4.46 Mg NZ C:Lys65 4.74 Mg N C:Thr66 4.24 Mg CB C:Thr66 3.60 Mg CG2 C:Thr66 4.60 Mg OG1 C:Thr66 2.44 Mg CA C:Thr66 4.49 Mg OD2 C:Asp145 3.96 Mg OD1 C:Asp145 4.11 Mg CG C:Asp145 4.47 Mg OE1 C:Glu146 3.78 Mg CD C:Glu146 4.80 Mg O3B C:Adp700 2.15 Mg PA C:Adp700 4.75 Mg O2A C:Adp700 4.02 Mg O1B C:Adp700 3.49 Mg PB C:Adp700 3.36 Mg O2B C:Adp700 4.29 Mg O3A C:Adp700 4.52 interactive model: