Manganese in the structure of Complex Of Gs-Alpha With the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex With Mant-Itp and Mn (pdb 3g82)

The binding sites of Manganese atom in the structure of Complex Of Gs-Alpha With the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex With Mant-Itp and Mn (pdb code 3g82). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3g82 structure was solved by M.HUEBNER, T.-C.MOU, S.R.SPRANG, R.SEIFERT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-3.1 Space group P21212 a (A) 117.637 b (A) 133.423 c (A) 70.642 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23.7 Rfree (%) 29.4 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3g82 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3g82. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp396, A: Leu438, A: Asp440, A: Cys441, A: Mn582, A: Mi3100, conact list: Atom Atom Distance (A) Mn OD2 A:Asp396 4.17 Mn OD1 A:Asp396 2.88 Mn CG A:Asp396 3.84 Mn O A:Leu438 4.14 Mn N A:Asp440 4.77 Mn CB A:Asp440 4.79 Mn OD2 A:Asp440 4.05 Mn C A:Asp440 4.66 Mn OD1 A:Asp440 2.44 Mn CG A:Asp440 3.57 Mn CA A:Asp440 4.96 Mn N A:Cys441 4.28 Mn CB A:Cys441 3.90 Mn CA A:Cys441 4.64 Mn MN A:Mn582 4.67 Mn O3B A:Mi3100 2.85 Mn PA A:Mi3100 3.34 Mn C8 A:Mi3100 4.73 Mn O5' A:Mi3100 3.39 Mn O3A A:Mi3100 4.60 Mn O2A A:Mi3100 2.30 Mn PB A:Mi3100 4.23 Mn O4' A:Mi3100 4.62 Mn C5' A:Mi3100 4.79 Mn O1A A:Mi3100 4.32 interactive model: Manganese binding site 2 out of 2 in 3g82 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3g82. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp396, A: Ile397, A: Glu398, A: Gly399, A: Phe400, A: Asp440, A: Mn581, A: Mi3100, conact list: Atom Atom Distance (A) Mn CB A:Asp396 4.25 Mn OD2 A:Asp396 2.12 Mn C A:Asp396 4.37 Mn OD1 A:Asp396 3.43 Mn CG A:Asp396 3.03 Mn CA A:Asp396 4.82 Mn O A:Ile397 2.22 Mn N A:Ile397 3.57 Mn CB A:Ile397 3.93 Mn CG2 A:Ile397 4.77 Mn C A:Ile397 3.27 Mn CA A:Ile397 3.75 Mn N A:Glu398 4.46 Mn CA A:Glu398 4.95 Mn N A:Gly399 4.96 Mn N A:Phe400 4.52 Mn CB A:Phe400 3.89 Mn CG A:Phe400 4.90 Mn CA A:Phe400 4.87 Mn CB A:Asp440 4.30 Mn OD2 A:Asp440 1.95 Mn OD1 A:Asp440 3.65 Mn CG A:Asp440 3.10 Mn MN A:Mn581 4.67 Mn PG A:Mi3100 3.44 Mn O3B A:Mi3100 2.69 Mn O2G A:Mi3100 2.82 Mn PA A:Mi3100 4.93 Mn O5' A:Mi3100 4.77 Mn O2B A:Mi3100 4.05 Mn O3G A:Mi3100 4.09 Mn O2A A:Mi3100 5.00 Mn O1B A:Mi3100 2.26 Mn PB A:Mi3100 3.07 Mn O1G A:Mi3100 4.88 Mn O1A A:Mi3100 4.24 interactive model: