Magnesium in the structure of Structure of P97 N-D1 R155H Mutant in Complex With Atpgs (pdb 3hu3)

The binding sites of Magnesium atom in the structure of Structure of P97 N-D1 R155H Mutant in Complex With Atpgs (pdb code 3hu3). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3hu3 structure was solved by W.-K.TANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 32.0-2.2 Space group H3 a (A) 134.206 b (A) 134.206 c (A) 182.890 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.1 Rfree (%) 19.3 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 3hu3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3hu3. 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: Lys251, A: Thr252, A: Asp304, A: Glu305, A: Atg800, A: Hoh802, A: Hoh803, A: Hoh804, A: Hoh893, A: Hoh894, A: Hoh953, conact list: Atom Atom Distance (A) Mg CB A:Lys251 4.96 Mg N A:Thr252 3.93 Mg CB A:Thr252 3.20 Mg CG2 A:Thr252 4.32 Mg OG1 A:Thr252 2.20 Mg CA A:Thr252 4.13 Mg OD2 A:Asp304 4.13 Mg OD1 A:Asp304 4.12 Mg CG A:Asp304 4.55 Mg OE2 A:Glu305 4.51 Mg CG A:Glu305 4.93 Mg PG A:Atg800 3.18 Mg O3B A:Atg800 3.33 Mg O2G A:Atg800 2.12 Mg PA A:Atg800 4.40 Mg O2B A:Atg800 4.46 Mg S3G A:Atg800 4.77 Mg O3A A:Atg800 4.07 Mg O2A A:Atg800 3.72 Mg O1B A:Atg800 2.02 Mg PB A:Atg800 3.20 Mg O1G A:Atg800 4.00 Mg O1A A:Atg800 4.75 Mg O A:Hoh802 2.19 Mg O A:Hoh803 2.01 Mg O A:Hoh804 2.03 Mg O A:Hoh893 4.34 Mg O A:Hoh894 4.52 Mg O A:Hoh953 4.22 interactive model: Magnesium binding site 2 out of 2 in 3hu3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3hu3. 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: Lys251, B: Thr252, B: Asp304, B: Glu305, B: Atg800, B: Hoh802, B: Hoh803, B: Hoh804, B: Hoh872, B: Hoh909, conact list: Atom Atom Distance (A) Mg CB B:Lys251 4.77 Mg C B:Lys251 4.97 Mg N B:Thr252 3.92 Mg CB B:Thr252 3.32 Mg CG2 B:Thr252 4.45 Mg OG1 B:Thr252 2.21 Mg CA B:Thr252 4.20 Mg OD2 B:Asp304 4.13 Mg OD1 B:Asp304 4.06 Mg CG B:Asp304 4.51 Mg OE2 B:Glu305 4.54 Mg CG B:Glu305 4.85 Mg PG B:Atg800 3.07 Mg O3B B:Atg800 3.22 Mg O2G B:Atg800 2.00 Mg PA B:Atg800 4.44 Mg O2B B:Atg800 4.27 Mg S3G B:Atg800 4.69 Mg O3A B:Atg800 4.06 Mg O2A B:Atg800 3.95 Mg O1B B:Atg800 1.89 Mg PB B:Atg800 3.07 Mg O1G B:Atg800 3.93 Mg O1A B:Atg800 4.76 Mg O B:Hoh802 2.23 Mg O B:Hoh803 2.04 Mg O B:Hoh804 2.10 Mg O B:Hoh872 4.21 Mg O B:Hoh909 3.92 interactive model: