Magnesium in the structure of Crystal Structure of Fitacb From Neisseria Gonorrhoeae (pdb 2h1c)

The binding sites of Magnesium atom in the structure of Crystal Structure of Fitacb From Neisseria Gonorrhoeae (pdb code 2h1c). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2h1c structure was solved by K.MATTISON, J.S.WILBUR, M.SO, R.G.BRENNAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 39.1-1.8 Space group C121 a (A) 69.970 b (A) 50.700 c (A) 48.280 alpha (°) 90.00 beta (°) 118.55 gamma (°) 90.00 Rfactor (%) 19.1 Rfree (%) 22.3 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 2h1c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2h1c. 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: Leu3, A: Leu4, A: Asp5, A: Tyr34, A: Leu35, A: Ser36, A: Thr39, A: Ile107, conact list: Atom Atom Distance (A) Mg CB A:Leu3 4.90 Mg CD1 A:Leu3 3.76 Mg CD2 A:Leu3 4.23 Mg C A:Leu3 4.65 Mg CG A:Leu3 3.64 Mg O A:Leu4 2.62 Mg N A:Leu4 4.31 Mg C A:Leu4 3.62 Mg CA A:Leu4 4.56 Mg N A:Asp5 4.37 Mg CA A:Asp5 4.38 Mg O A:Tyr34 4.60 Mg O A:Leu35 4.93 Mg N A:Leu35 4.88 Mg CB A:Leu35 4.55 Mg CD2 A:Leu35 4.57 Mg C A:Leu35 3.76 Mg CA A:Leu35 3.77 Mg O A:Ser36 4.35 Mg N A:Ser36 2.87 Mg CB A:Ser36 3.46 Mg OG A:Ser36 4.72 Mg C A:Ser36 4.56 Mg CA A:Ser36 3.74 Mg N A:Thr39 4.86 Mg CB A:Thr39 3.36 Mg CG2 A:Thr39 3.96 Mg OG1 A:Thr39 2.68 Mg CA A:Thr39 4.72 Mg CD1 A:Ile107 5.00 Mg CG2 A:Ile107 4.54 interactive model: Magnesium binding site 2 out of 3 in 2h1c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2h1c. 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: Arg44, A: Leu45, A: Val47, A: Ala48, A: His60, A: Glu64, A: Hoh210, A: Hoh231, A: Hoh232, A: Hoh251, A: Hoh254, A: Hoh266, conact list: Atom Atom Distance (A) Mg O A:Arg44 2.62 Mg CB A:Arg44 3.73 Mg C A:Arg44 3.43 Mg CG A:Arg44 4.23 Mg CA A:Arg44 3.59 Mg N A:Leu45 4.65 Mg CB A:Val47 4.03 Mg C A:Val47 4.59 Mg CG1 A:Val47 4.28 Mg CA A:Val47 4.82 Mg N A:Ala48 3.88 Mg CB A:Ala48 3.90 Mg CA A:Ala48 4.31 Mg NE2 A:His60 4.74 Mg CD2 A:His60 3.88 Mg CG A:His60 4.86 Mg OE2 A:Glu64 4.91 Mg O A:Hoh210 2.92 Mg O A:Hoh231 4.06 Mg O A:Hoh232 2.87 Mg O A:Hoh251 2.86 Mg O A:Hoh254 4.77 Mg O A:Hoh266 4.94 interactive model: Magnesium binding site 3 out of 3 in 2h1c Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2h1c. 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: Ser36, A: Ala37, A: Ile38, A: Leu76, A: Pro77, A: Phe78, A: Tyr106, A: Thr110, conact list: Atom Atom Distance (A) Mg CB A:Ser36 3.43 Mg OG A:Ser36 2.59 Mg C A:Ser36 4.30 Mg CA A:Ser36 3.90 Mg N A:Ala37 3.83 Mg CB A:Ala37 4.81 Mg CA A:Ala37 4.82 Mg N A:Ile38 4.47 Mg CB A:Ile38 4.94 Mg CG1 A:Ile38 4.35 Mg O A:Leu76 2.95 Mg CB A:Leu76 4.72 Mg C A:Leu76 3.91 Mg CA A:Leu76 4.94 Mg O A:Pro77 3.51 Mg N A:Pro77 4.49 Mg C A:Pro77 3.50 Mg CA A:Pro77 4.20 Mg N A:Phe78 3.56 Mg CB A:Phe78 3.98 Mg CD1 A:Phe78 4.62 Mg CG A:Phe78 4.83 Mg CA A:Phe78 3.82 Mg O A:Tyr106 4.74 Mg CB A:Thr110 3.67 Mg CG2 A:Thr110 3.62 Mg OG1 A:Thr110 2.69 Mg CA A:Thr110 4.96 interactive model: