Magnesium in the structure of Lysyl-Trna Synthetase (Lysu) Hexagonal Form Complexed With the LYSYL_ADENYLATE Intermediate (pdb 1e1t)

The binding sites of Magnesium atom in the structure of Lysyl-Trna Synthetase (Lysu) Hexagonal Form Complexed With the LYSYL_ADENYLATE Intermediate (pdb code 1e1t). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1e1t structure was solved by G.DESOGUS, F.TODONE, P.BRICK, S.ONESTI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.4 Space group P6122 a (A) 143.100 b (A) 143.100 c (A) 176.100 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 18.6 Rfree (%) 26.7 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1e1t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1e1t. 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: Arg412, A: Glu414, A: Glu421, A: Asn424, B: Lad510, B: Pop512, B: Gol523, A: Hoh2274, A: Hoh2275, B: Hoh2001, conact list: Atom Atom Distance (A) Mg NH2 A:Arg412 3.97 Mg OE1 A:Glu414 4.10 Mg OE2 A:Glu414 2.55 Mg CD A:Glu414 3.67 Mg CG A:Glu414 4.91 Mg OE1 A:Glu421 3.12 Mg OE2 A:Glu421 2.86 Mg CD A:Glu421 3.34 Mg CG A:Glu421 4.81 Mg CB A:Asn424 4.90 Mg ND2 A:Asn424 4.40 Mg CG A:Asn424 4.79 Mg PA B:Lad510 4.14 Mg O3A B:Lad510 4.98 Mg O2A B:Lad510 4.43 Mg O1A B:Lad510 2.94 Mg O B:Pop512 4.67 Mg O5 B:Pop512 4.02 Mg P2 B:Pop512 3.32 Mg O3 B:Pop512 4.34 Mg O4 B:Pop512 2.37 Mg O6 B:Pop512 3.50 Mg O1 B:Gol523 4.96 Mg O A:Hoh2274 4.41 Mg O A:Hoh2275 3.99 Mg O B:Hoh2001 4.42 interactive model: Magnesium binding site 2 out of 2 in 1e1t Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1e1t. 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: Glu264, A: His270, B: Lad510, B: Pop512, A: Hoh2191, A: Hoh2192, conact list: Atom Atom Distance (A) Mg OE1 A:Glu264 4.88 Mg OE2 A:Glu264 4.32 Mg CD A:Glu264 4.96 Mg NE2 A:His270 3.46 Mg CD2 A:His270 4.26 Mg CE1 A:His270 4.36 Mg C8 B:Lad510 4.96 Mg N7 B:Lad510 4.61 Mg O B:Pop512 2.24 Mg O5 B:Pop512 2.57 Mg P2 B:Pop512 2.92 Mg O2 B:Pop512 3.87 Mg P1 B:Pop512 2.66 Mg O1 B:Pop512 2.07 Mg O3 B:Pop512 3.46 Mg O4 B:Pop512 3.57 Mg O6 B:Pop512 4.15 Mg O A:Hoh2191 2.93 Mg O A:Hoh2192 3.67 interactive model: