Magnesium in the structure of Structure Of the Catalytic Domain of Human Polo-Like Kinase 1 (pdb 2ou7)

The binding sites of Magnesium atom in the structure of Structure Of the Catalytic Domain of Human Polo-Like Kinase 1 (pdb code 2ou7). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2ou7 structure was solved by Y.-H.DING, M.KOTHE, D.KOHLS, S.LOW, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 45.9-2.4 Space group P3221 a (A) 65.958 b (A) 65.958 c (A) 154.045 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 20.3 Rfree (%) 23.5 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 2ou7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2ou7. 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: Lys61, A: Gly62, A: Gly63, A: Anp500, conact list: Atom Atom Distance (A) Mg O A:Lys61 3.94 Mg C A:Lys61 4.58 Mg N A:Gly62 4.38 Mg C A:Gly62 4.51 Mg CA A:Gly62 3.42 Mg N A:Gly63 4.87 Mg PG A:Anp500 3.16 Mg O2G A:Anp500 2.47 Mg PA A:Anp500 4.80 Mg PA A:Anp500 3.50 Mg O3' A:Anp500 3.10 Mg C4' A:Anp500 4.33 Mg O5' A:Anp500 4.36 Mg O5' A:Anp500 4.28 Mg O3A A:Anp500 4.45 Mg N3B A:Anp500 3.71 Mg C3' A:Anp500 4.18 Mg O3G A:Anp500 3.11 Mg O2A A:Anp500 3.87 Mg O2A A:Anp500 1.95 Mg PB A:Anp500 4.68 Mg C5' A:Anp500 4.66 Mg O1G A:Anp500 4.65 Mg O1A A:Anp500 4.47 interactive model: Magnesium binding site 2 out of 2 in 2ou7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2ou7. 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: Lys82, A: Glu101, A: Asp194, A: Gly196, A: Anp500, A: Hoh534, conact list: Atom Atom Distance (A) Mg CE A:Lys82 4.42 Mg NZ A:Lys82 3.37 Mg OE1 A:Glu101 2.91 Mg OE2 A:Glu101 3.21 Mg CD A:Glu101 3.33 Mg CG A:Glu101 4.67 Mg CB A:Asp194 4.80 Mg OD2 A:Asp194 4.19 Mg OD1 A:Asp194 2.56 Mg CG A:Asp194 3.68 Mg CA A:Asp194 4.90 Mg N A:Gly196 4.12 Mg CA A:Gly196 3.80 Mg PG A:Anp500 4.10 Mg O2G A:Anp500 4.53 Mg PA A:Anp500 4.50 Mg O2B A:Anp500 3.00 Mg O3A A:Anp500 3.48 Mg N3B A:Anp500 2.69 Mg O3G A:Anp500 4.31 Mg O1B A:Anp500 4.94 Mg PB A:Anp500 3.39 Mg O1G A:Anp500 4.96 Mg O1A A:Anp500 4.00 Mg O1A A:Anp500 4.88 Mg O A:Hoh534 4.93 interactive model: