Magnesium in the structure of Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris (pdb 3eja)

The binding sites of Magnesium atom in the structure of Magnesium-Bound Glycoside Hydrolase 61 Isoform E From Thielavia Terrestris (pdb code 3eja). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3eja structure was solved by R.SALBO, D.WELNER, L.LO LEGGIO, P.HARRIS, K.MCFARLAND, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-1.9 Space group F231 a (A) 221.461 b (A) 221.461 c (A) 221.461 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.4 Rfree (%) 20.4 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 3eja Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3eja. 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: His1, A: Tyr67, A: His68, A: Gln151, A: Tyr153, A: So44851, A: Hoh5839, A: Hoh5840, conact list: Atom Atom Distance (A) Mg NE2 A:His1 4.30 Mg N A:His1 2.11 Mg CB A:His1 3.32 Mg ND1 A:His1 2.19 Mg CD2 A:His1 4.27 Mg C A:His1 4.44 Mg CE1 A:His1 3.22 Mg CG A:His1 3.11 Mg CA A:His1 3.08 Mg CZ A:Tyr67 4.22 Mg CE1 A:Tyr67 4.42 Mg OH A:Tyr67 3.64 Mg NE2 A:His68 2.11 Mg ND1 A:His68 4.22 Mg CD2 A:His68 3.07 Mg CE1 A:His68 3.12 Mg CG A:His68 4.23 Mg OE1 A:Gln151 4.01 Mg CE2 A:Tyr153 4.71 Mg CZ A:Tyr153 3.82 Mg CE1 A:Tyr153 4.41 Mg OH A:Tyr153 2.80 Mg O3 A:So44851 4.10 Mg O A:Hoh5839 2.19 Mg O A:Hoh5840 4.66 interactive model: Magnesium binding site 2 out of 4 in 3eja Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3eja. 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: His1, B: Tyr67, B: His68, B: Gln151, B: Tyr153, D: So44852, D: Hoh5572, conact list: Atom Atom Distance (A) Mg NE2 B:His1 4.29 Mg N B:His1 2.28 Mg CB B:His1 3.33 Mg ND1 B:His1 2.17 Mg CD2 B:His1 4.27 Mg C B:His1 4.55 Mg CE1 B:His1 3.20 Mg CG B:His1 3.10 Mg CA B:His1 3.12 Mg CZ B:Tyr67 4.56 Mg CE1 B:Tyr67 4.79 Mg OH B:Tyr67 3.90 Mg NE2 B:His68 2.39 Mg ND1 B:His68 4.48 Mg CD2 B:His68 3.34 Mg CE1 B:His68 3.37 Mg CG B:His68 4.50 Mg OE1 B:Gln151 3.97 Mg CE2 B:Tyr153 4.78 Mg CZ B:Tyr153 3.80 Mg CE1 B:Tyr153 4.32 Mg OH B:Tyr153 2.72 Mg S D:So44852 4.97 Mg O3 D:So44852 4.06 Mg O D:Hoh5572 4.84 interactive model: Magnesium binding site 3 out of 4 in 3eja Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3eja. 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: His1, C: Tyr67, C: His68, C: Gln151, C: Tyr153, A: Gol2647, C: Hoh5664, conact list: Atom Atom Distance (A) Mg NE2 C:His1 4.27 Mg N C:His1 2.25 Mg CB C:His1 3.45 Mg ND1 C:His1 2.18 Mg CD2 C:His1 4.30 Mg C C:His1 4.60 Mg CE1 C:His1 3.15 Mg CG C:His1 3.17 Mg CA C:His1 3.22 Mg CZ C:Tyr67 4.29 Mg CE1 C:Tyr67 4.46 Mg OH C:Tyr67 3.74 Mg NE2 C:His68 2.01 Mg ND1 C:His68 4.12 Mg CD2 C:His68 2.96 Mg CE1 C:His68 3.03 Mg CG C:His68 4.12 Mg OE1 C:Gln151 3.93 Mg CE2 C:Tyr153 4.70 Mg CZ C:Tyr153 3.78 Mg CE1 C:Tyr153 4.36 Mg OH C:Tyr153 2.72 Mg C1 A:Gol2647 3.53 Mg O1 A:Gol2647 2.97 Mg C2 A:Gol2647 4.70 Mg O C:Hoh5664 4.50 interactive model: Magnesium binding site 4 out of 4 in 3eja Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 3eja. 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: D: His1, D: Tyr67, D: His68, D: Gln151, D: Tyr153, D: Gol2647, D: Hoh5453, conact list: Atom Atom Distance (A) Mg NE2 D:His1 4.28 Mg N D:His1 2.28 Mg CB D:His1 3.31 Mg ND1 D:His1 2.16 Mg CD2 D:His1 4.25 Mg C D:His1 4.53 Mg CE1 D:His1 3.20 Mg CG D:His1 3.09 Mg CA D:His1 3.10 Mg CZ D:Tyr67 4.54 Mg CE1 D:Tyr67 4.77 Mg OH D:Tyr67 3.89 Mg NE2 D:His68 2.34 Mg ND1 D:His68 4.44 Mg CD2 D:His68 3.28 Mg CE1 D:His68 3.33 Mg CG D:His68 4.45 Mg OE1 D:Gln151 3.94 Mg CE2 D:Tyr153 4.72 Mg CZ D:Tyr153 3.75 Mg CE1 D:Tyr153 4.30 Mg OH D:Tyr153 2.67 Mg C1 D:Gol2647 3.21 Mg O1 D:Gol2647 2.71 Mg C2 D:Gol2647 4.28 Mg O D:Hoh5453 4.74 interactive model: