Magnesium in the structure of Crystal Structure of the Histone Methyltransferase SET7/9 (pdb 1h3i)

The binding sites of Magnesium atom in the structure of Crystal Structure of the Histone Methyltransferase SET7/9 (pdb code 1h3i). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1h3i structure was solved by J.R.WILSON, C.JING, P.A.WALKER, S.R.MARTIN, S.A.HOWELL, G.M.BLACKBURN, S.J.GAMBLIN, B.XIAO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.1 Space group P212121 a (A) 66.090 b (A) 82.830 c (A) 116.150 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21 Rfree (%) 25.5 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 1h3i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1h3i. 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: Gly264, A: Asn265, A: His293, A: Ala295, A: Asn296, A: His297, A: His339, A: Hoh2116, A: Hoh2120, A: Hoh2133, A: Hoh2134, A: Hoh2135, A: Hoh2147, A: Hoh2149, A: Hoh2150, conact list: Atom Atom Distance (A) Mg O A:Gly264 4.29 Mg OD1 A:Asn265 4.29 Mg O A:His293 4.33 Mg O A:Ala295 4.56 Mg OD1 A:Asn296 4.03 Mg CA A:Asn296 4.79 Mg ND1 A:His297 4.17 Mg CE1 A:His297 4.54 Mg NE2 A:His339 4.10 Mg CD2 A:His339 4.83 Mg CE1 A:His339 4.49 Mg O A:Hoh2116 4.96 Mg O A:Hoh2120 4.18 Mg O A:Hoh2133 2.01 Mg O A:Hoh2134 2.19 Mg O A:Hoh2135 4.10 Mg O A:Hoh2147 2.02 Mg O A:Hoh2149 2.11 Mg O A:Hoh2150 2.61 interactive model: Magnesium binding site 2 out of 3 in 1h3i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1h3i. 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: Glu279, B: Asn282, B: His283, conact list: Atom Atom Distance (A) Mg O B:Glu279 4.28 Mg OE1 B:Glu279 1.96 Mg OE2 B:Glu279 2.94 Mg CD B:Glu279 2.66 Mg CG B:Glu279 3.90 Mg ND2 B:Asn282 4.43 Mg OD1 B:Asn282 3.99 Mg CG B:Asn282 4.62 Mg NE2 B:His283 2.01 Mg ND1 B:His283 4.04 Mg CD2 B:His283 3.12 Mg CE1 B:His283 2.87 Mg CG B:His283 4.19 interactive model: Magnesium binding site 3 out of 3 in 1h3i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1h3i. 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: Gly264, B: Asn265, B: His293, B: Ala295, B: Asn296, B: His297, B: His339, B: Hoh2042, B: Hoh2043, B: Hoh2100, B: Hoh2102, B: Hoh2111, B: Hoh2123, B: Hoh2125, B: Hoh2140, B: Hoh2141, B: Hoh2142, B: Hoh2143, conact list: Atom Atom Distance (A) Mg O B:Gly264 4.09 Mg OD1 B:Asn265 4.04 Mg O B:His293 4.17 Mg O B:Ala295 4.37 Mg OD1 B:Asn296 4.26 Mg CA B:Asn296 4.89 Mg ND1 B:His297 4.37 Mg CE1 B:His297 4.58 Mg NE2 B:His339 4.36 Mg CE1 B:His339 4.88 Mg O B:Hoh2042 4.65 Mg O B:Hoh2043 3.97 Mg O B:Hoh2100 4.11 Mg O B:Hoh2102 4.79 Mg O B:Hoh2111 4.21 Mg O B:Hoh2123 1.89 Mg O B:Hoh2125 1.81 Mg O B:Hoh2140 2.03 Mg O B:Hoh2141 1.91 Mg O B:Hoh2142 4.23 Mg O B:Hoh2143 2.10 interactive model: