Manganese in the structure of Structure of The PYR1 HIS60PRO Mutant in Complex With the HAB1 Phosphatase and Abscisic Acid (pdb 3zvu)

The binding sites of Manganese atom in the structure of Structure of The PYR1 HIS60PRO Mutant in Complex With the HAB1 Phosphatase and Abscisic Acid (pdb code 3zvu). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3zvu structure was solved by K.BETZ, F.DUPEUX, J.SANTIAGO, P.L.RODRIGUEZ, J.A.MARQUEZ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.3-2.1 Space group P212121 a (A) 45.480 b (A) 66.050 c (A) 172.390 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.008 Rfree (%) 23.567 Manganese Binding Sites: Manganese binding site 1 out of 2 in 3zvu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3zvu. 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: B: Arg199, B: Glu203, B: Asp204, B: Asp243, B: Gly244, B: His245, B: Asp492, B: Asn493, B: Mn1507, B: So41508, A: Hoh2037, B: Hoh2016, B: Hoh2017, B: Hoh2022, B: Hoh2023, B: Hoh2034, B: Hoh2035, B: Hoh2037, conact list: Atom Atom Distance (A) Mn NH1 B:Arg199 4.66 Mn O B:Glu203 4.90 Mn OE1 B:Glu203 4.36 Mn CB B:Glu203 4.37 Mn C B:Glu203 4.93 Mn OD1 B:Asp204 4.33 Mn O B:Asp243 4.43 Mn CB B:Asp243 4.56 Mn OD2 B:Asp243 3.74 Mn C B:Asp243 4.16 Mn OD1 B:Asp243 2.14 Mn CG B:Asp243 3.27 Mn CA B:Asp243 4.70 Mn O B:Gly244 2.19 Mn N B:Gly244 3.94 Mn C B:Gly244 3.36 Mn CA B:Gly244 4.27 Mn N B:His245 4.27 Mn CB B:His245 4.84 Mn CA B:His245 4.45 Mn OD1 B:Asp492 4.45 Mn ND2 B:Asn493 4.36 Mn MN B:Mn1507 3.85 Mn S B:So41508 4.82 Mn O1 B:So41508 4.12 Mn O3 B:So41508 4.47 Mn O A:Hoh2037 2.34 Mn O B:Hoh2016 2.27 Mn O B:Hoh2017 4.50 Mn O B:Hoh2022 2.09 Mn O B:Hoh2023 4.35 Mn O B:Hoh2034 3.89 Mn O B:Hoh2035 2.21 Mn O B:Hoh2037 4.27 interactive model: Manganese binding site 2 out of 2 in 3zvu Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3zvu. 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: B: Asp204, B: Asp243, B: Ser431, B: Asp432, B: Gly433, B: Asp492, B: Asn493, B: Mn1506, B: So41508, B: Hoh2016, B: Hoh2022, B: Hoh2023, B: Hoh2035, B: Hoh2036, B: Hoh2037, B: Hoh2038, conact list: Atom Atom Distance (A) Mn OD1 B:Asp204 4.53 Mn CB B:Asp243 4.46 Mn OD2 B:Asp243 2.13 Mn OD1 B:Asp243 3.42 Mn CG B:Asp243 3.11 Mn CB B:Ser431 4.72 Mn N B:Asp432 4.47 Mn CB B:Asp432 4.42 Mn OD2 B:Asp432 3.46 Mn C B:Asp432 4.66 Mn OD1 B:Asp432 2.01 Mn CG B:Asp432 3.09 Mn CA B:Asp432 4.71 Mn N B:Gly433 4.22 Mn CA B:Gly433 4.97 Mn CB B:Asp492 4.44 Mn OD2 B:Asp492 2.15 Mn OD1 B:Asp492 3.32 Mn CG B:Asp492 3.08 Mn O B:Asn493 4.60 Mn MN B:Mn1506 3.85 Mn O1 B:So41508 3.92 Mn O B:Hoh2016 2.27 Mn O B:Hoh2022 4.43 Mn O B:Hoh2023 2.20 Mn O B:Hoh2035 4.08 Mn O B:Hoh2036 4.15 Mn O B:Hoh2037 2.19 Mn O B:Hoh2038 4.14 interactive model: