Magnesium in the structure of T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein (pdb 1bup)

The binding sites of Magnesium atom in the structure of T13S Mutant of Bovine 70 Kilodalton Heat Shock Protein (pdb code 1bup). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1bup structure was solved by M.C.SOUSA, D.B.MCKAY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 100.0-1.7 Space group P212121 a (A) 143.572 b (A) 64.164 c (A) 46.236 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.9 Rfree (%) 22 Magnesium Binding Sites: Magnesium binding site 1 out of 1 in 1bup Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1bup. 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: Asp10, A: Glu175, A: Asp199, A: Gly201, A: K490, A: K491, A: Po4488, A: Adp486, A: Hoh545, A: Hoh560, A: Hoh561, A: Hoh562, A: Hoh563, A: Hoh573, conact list: Atom Atom Distance (A) Mg OD2 A:Asp10 4.54 Mg OD1 A:Asp10 4.67 Mg OE1 A:Glu175 4.22 Mg CD A:Glu175 4.99 Mg OD2 A:Asp199 4.12 Mg OD1 A:Asp199 4.10 Mg CG A:Asp199 4.53 Mg CA A:Gly201 4.92 Mg K A:K490 3.65 Mg K A:K491 3.94 Mg O1 A:Po4488 4.23 Mg O2 A:Po4488 2.09 Mg P A:Po4488 3.32 Mg O4 A:Po4488 4.38 Mg O3 A:Po4488 3.50 Mg O3B A:Adp486 4.15 Mg PA A:Adp486 4.84 Mg O1B A:Adp486 4.41 Mg PB A:Adp486 3.53 Mg O2B A:Adp486 1.98 Mg O3A A:Adp486 4.34 Mg O A:Hoh545 4.60 Mg O A:Hoh560 2.10 Mg O A:Hoh561 2.14 Mg O A:Hoh562 2.19 Mg O A:Hoh563 2.14 Mg O A:Hoh573 4.82 interactive model: