Magnesium in the structure of Asymmetric Complex of Human Neuron Specific Enolase-1-Pga/Pep (pdb 3ucc)

The binding sites of Magnesium atom in the structure of Asymmetric Complex of Human Neuron Specific Enolase-1-Pga/Pep (pdb code 3ucc). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3ucc structure was solved by J.QIN, G.CHAI, J.BREWER, L.LOVELACE, L.LEBIODA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 36.4-1.5 Space group P21212 a (A) 114.785 b (A) 119.677 c (A) 68.001 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22 Rfree (%) 25.8 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 3ucc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3ucc. 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: Gln165, A: Glu166, A: Asp244, A: Glu292, A: Asp293, A: Asp317, A: Leu340, A: Lys342, A: Lys393, A: Mg600, A: 2pg601, A: Hoh800, A: Hoh801, A: Hoh802, conact list: Atom Atom Distance (A) Mg NE2 A:Gln165 3.90 Mg CD A:Gln165 4.99 Mg OE2 A:Glu166 4.43 Mg CB A:Asp244 4.36 Mg OD2 A:Asp244 3.42 Mg OD1 A:Asp244 2.03 Mg CG A:Asp244 3.05 Mg OE1 A:Glu292 2.10 Mg OE2 A:Glu292 3.93 Mg CD A:Glu292 3.23 Mg CG A:Glu292 4.18 Mg OD2 A:Asp293 4.29 Mg CB A:Asp317 3.79 Mg OD2 A:Asp317 4.21 Mg OD1 A:Asp317 2.05 Mg CG A:Asp317 3.18 Mg CD2 A:Leu340 4.23 Mg CE A:Lys342 4.83 Mg NZ A:Lys342 3.77 Mg CE A:Lys393 4.80 Mg NZ A:Lys393 3.75 Mg MG A:Mg600 3.85 Mg O2 A:2pg601 1.92 Mg O3P A:2pg601 4.93 Mg C1 A:2pg601 2.21 Mg O1 A:2pg601 2.09 Mg O1P A:2pg601 4.57 Mg C3 A:2pg601 4.46 Mg C2 A:2pg601 3.72 Mg O A:Hoh800 2.08 Mg O A:Hoh801 3.69 Mg O A:Hoh802 3.86 interactive model: Magnesium binding site 2 out of 4 in 3ucc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3ucc. 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: Ser39, A: Thr40, A: Gln165, A: Asp317, A: Asp318, A: Lys342, A: Arg371, A: Mg599, A: 2pg601, A: Hoh800, A: Hoh801, A: Hoh802, conact list: Atom Atom Distance (A) Mg O A:Ser39 1.98 Mg N A:Ser39 4.02 Mg CB A:Ser39 3.08 Mg OG A:Ser39 2.18 Mg C A:Ser39 3.02 Mg CA A:Ser39 3.53 Mg N A:Thr40 4.20 Mg CA A:Thr40 4.70 Mg NE2 A:Gln165 4.28 Mg OE1 A:Gln165 4.27 Mg CD A:Gln165 4.73 Mg OD1 A:Asp317 3.81 Mg CG A:Asp317 4.80 Mg OD2 A:Asp318 4.20 Mg OD1 A:Asp318 4.07 Mg CG A:Asp318 4.55 Mg NZ A:Lys342 3.89 Mg NH2 A:Arg371 4.16 Mg MG A:Mg599 3.85 Mg O2 A:2pg601 4.21 Mg P A:2pg601 3.24 Mg O3P A:2pg601 2.04 Mg C1 A:2pg601 3.12 Mg O1 A:2pg601 2.12 Mg O1P A:2pg601 3.47 Mg O4P A:2pg601 4.48 Mg C2 A:2pg601 3.65 Mg O2P A:2pg601 3.89 Mg O A:Hoh800 4.03 Mg O A:Hoh801 2.00 Mg O A:Hoh802 2.00 interactive model: Magnesium binding site 3 out of 4 in 3ucc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3ucc. 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: Gln165, B: Glu166, B: Asp244, B: Ala246, B: Glu292, B: Asp293, B: Asp317, B: Leu340, B: Lys342, B: Lys393, B: Mg600, B: 2pg601, B: Hoh800, B: Hoh801, B: Hoh802, conact list: Atom Atom Distance (A) Mg NE2 B:Gln165 3.97 Mg OE2 B:Glu166 4.47 Mg CB B:Asp244 4.35 Mg OD2 B:Asp244 3.28 Mg OD1 B:Asp244 2.03 Mg CG B:Asp244 3.01 Mg CB B:Ala246 4.89 Mg OE1 B:Glu292 2.04 Mg OE2 B:Glu292 3.95 Mg CD B:Glu292 3.16 Mg CG B:Glu292 4.06 Mg OD2 B:Asp293 4.15 Mg CG B:Asp293 4.94 Mg CB B:Asp317 3.66 Mg OD2 B:Asp317 4.17 Mg OD1 B:Asp317 2.01 Mg CG B:Asp317 3.11 Mg CD2 B:Leu340 4.20 Mg NZ B:Lys342 3.88 Mg CE B:Lys393 4.82 Mg NZ B:Lys393 3.78 Mg MG B:Mg600 3.96 Mg O2 B:2pg601 2.07 Mg C1 B:2pg601 2.40 Mg O1 B:2pg601 2.18 Mg O1P B:2pg601 4.73 Mg C3 B:2pg601 4.61 Mg C2 B:2pg601 3.92 Mg O B:Hoh800 2.02 Mg O B:Hoh801 3.83 Mg O B:Hoh802 3.90 interactive model: Magnesium binding site 4 out of 4 in 3ucc Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 3ucc. 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: Ser39, B: Thr40, B: Gln165, B: Asp317, B: Asp318, B: Lys342, B: Arg371, B: Mg599, B: 2pg601, B: Hoh800, B: Hoh801, B: Hoh802, conact list: Atom Atom Distance (A) Mg O B:Ser39 2.03 Mg N B:Ser39 3.97 Mg CB B:Ser39 3.14 Mg OG B:Ser39 2.21 Mg C B:Ser39 3.02 Mg CA B:Ser39 3.52 Mg N B:Thr40 4.18 Mg CA B:Thr40 4.63 Mg NE2 B:Gln165 4.26 Mg OE1 B:Gln165 4.32 Mg CD B:Gln165 4.75 Mg OD1 B:Asp317 3.85 Mg CG B:Asp317 4.82 Mg OD2 B:Asp318 4.12 Mg OD1 B:Asp318 4.07 Mg CG B:Asp318 4.47 Mg NZ B:Lys342 3.98 Mg NH2 B:Arg371 4.08 Mg MG B:Mg599 3.96 Mg O2 B:2pg601 4.29 Mg P B:2pg601 3.30 Mg O3P B:2pg601 2.03 Mg C1 B:2pg601 3.23 Mg O1 B:2pg601 2.19 Mg O1P B:2pg601 3.52 Mg O4P B:2pg601 4.45 Mg C2 B:2pg601 3.84 Mg O2P B:2pg601 3.86 Mg O B:Hoh800 4.12 Mg O B:Hoh801 2.14 Mg O B:Hoh802 2.06 interactive model: