Manganese in the structure of Crystals Structure of Phnp From E.Coli K-12 (pdb 3g1p)

The binding sites of Manganese atom in the structure of Crystals Structure of Phnp From E.Coli K-12 (pdb code 3g1p). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3g1p structure was solved by K.PODZELINSKA, Z.JIA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 67.0-1.4 Space group C121 a (A) 111.650 b (A) 75.405 c (A) 83.228 alpha (°) 90.00 beta (°) 126.33 gamma (°) 90.00 Rfactor (%) 18.6 Rfree (%) 21 Manganese Binding Sites: Manganese binding site 1 out of 4 in 3g1p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3g1p. 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: His76, A: His78, A: Asp80, A: His81, A: His143, A: Asp164, A: His200, A: Mn401, A: Mlt500, A: Hoh573, A: Hoh611, conact list: Atom Atom Distance (A) Mn NE2 A:His76 2.23 Mn ND1 A:His76 4.33 Mn CD2 A:His76 3.15 Mn CE1 A:His76 3.25 Mn CG A:His76 4.32 Mn NE2 A:His78 4.28 Mn CB A:His78 3.64 Mn ND1 A:His78 2.23 Mn CD2 A:His78 4.37 Mn CE1 A:His78 3.12 Mn CG A:His78 3.28 Mn OD1 A:Asp80 4.53 Mn NE2 A:His81 4.36 Mn CD2 A:His81 4.38 Mn NE2 A:His143 2.20 Mn ND1 A:His143 4.23 Mn CD2 A:His143 3.23 Mn CE1 A:His143 3.09 Mn CG A:His143 4.33 Mn CB A:Asp164 3.78 Mn OD2 A:Asp164 2.26 Mn OD1 A:Asp164 4.37 Mn CG A:Asp164 3.32 Mn NE2 A:His200 4.89 Mn CE1 A:His200 4.57 Mn MN A:Mn401 3.67 Mn O2 A:Mlt500 4.28 Mn C1 A:Mlt500 3.10 Mn O1 A:Mlt500 2.27 Mn C3 A:Mlt500 3.98 Mn O3 A:Mlt500 2.21 Mn C2 A:Mlt500 3.20 Mn O A:Hoh573 4.24 Mn O A:Hoh611 4.68 interactive model: Manganese binding site 2 out of 4 in 3g1p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3g1p. 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: His76, A: Asp80, A: His81, A: Asp164, A: His200, A: His222, A: Mn400, A: Mlt500, A: Hoh320, A: Hoh391, A: Hoh509, A: Hoh573, A: Hoh657, conact list: Atom Atom Distance (A) Mn NE2 A:His76 4.44 Mn CE1 A:His76 4.37 Mn OD2 A:Asp80 3.06 Mn OD1 A:Asp80 3.82 Mn CG A:Asp80 3.78 Mn NE2 A:His81 2.29 Mn ND1 A:His81 4.42 Mn CD2 A:His81 3.15 Mn CE1 A:His81 3.35 Mn CG A:His81 4.35 Mn CB A:Asp164 4.20 Mn OD2 A:Asp164 2.14 Mn OD1 A:Asp164 2.67 Mn CG A:Asp164 2.72 Mn NE2 A:His200 4.78 Mn CE1 A:His200 4.08 Mn NE2 A:His222 2.60 Mn ND1 A:His222 4.72 Mn CD2 A:His222 3.28 Mn CE1 A:His222 3.73 Mn CG A:His222 4.53 Mn MN A:Mn400 3.67 Mn O2 A:Mlt500 4.53 Mn C1 A:Mlt500 3.92 Mn O1 A:Mlt500 3.93 Mn O3 A:Mlt500 3.15 Mn C2 A:Mlt500 3.85 Mn O A:Hoh320 3.05 Mn O A:Hoh391 4.26 Mn O A:Hoh509 4.39 Mn O A:Hoh573 1.77 Mn O A:Hoh657 4.92 interactive model: Manganese binding site 3 out of 4 in 3g1p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 3g1p. 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: His76, B: His78, B: Asp80, B: His81, B: His143, B: Asp164, B: His200, B: Mn403, B: Mlt501, B: Hoh394, B: Hoh613, B: Hoh623, conact list: Atom Atom Distance (A) Mn NE2 B:His76 2.21 Mn ND1 B:His76 4.31 Mn CD2 B:His76 3.10 Mn CE1 B:His76 3.23 Mn CG B:His76 4.28 Mn NE2 B:His78 4.24 Mn CB B:His78 3.66 Mn ND1 B:His78 2.22 Mn CD2 B:His78 4.36 Mn CE1 B:His78 3.08 Mn CG B:His78 3.28 Mn OD1 B:Asp80 4.56 Mn NE2 B:His81 4.35 Mn CD2 B:His81 4.39 Mn NE2 B:His143 2.17 Mn ND1 B:His143 4.21 Mn CD2 B:His143 3.19 Mn CE1 B:His143 3.08 Mn CG B:His143 4.30 Mn CB B:Asp164 3.76 Mn OD2 B:Asp164 2.27 Mn OD1 B:Asp164 4.34 Mn CG B:Asp164 3.30 Mn NE2 B:His200 4.94 Mn CE1 B:His200 4.61 Mn MN B:Mn403 3.53 Mn O2 B:Mlt501 4.25 Mn C1 B:Mlt501 3.08 Mn O1 B:Mlt501 2.22 Mn C3 B:Mlt501 4.07 Mn O3 B:Mlt501 2.27 Mn C2 B:Mlt501 3.26 Mn O B:Hoh394 4.39 Mn O B:Hoh613 4.65 Mn O B:Hoh623 4.04 interactive model: Manganese binding site 4 out of 4 in 3g1p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Manganese in the PDB 3g1p. 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: His76, B: Asp80, B: His81, B: Asp164, B: His200, B: His222, B: Mn402, B: Mlt501, B: Hoh356, B: Hoh451, B: Hoh623, conact list: Atom Atom Distance (A) Mn NE2 B:His76 4.26 Mn CE1 B:His76 4.21 Mn OD2 B:Asp80 3.09 Mn OD1 B:Asp80 3.84 Mn CG B:Asp80 3.80 Mn NE2 B:His81 2.24 Mn ND1 B:His81 4.36 Mn CD2 B:His81 3.13 Mn CE1 B:His81 3.28 Mn CG B:His81 4.32 Mn CB B:Asp164 4.11 Mn OD2 B:Asp164 2.00 Mn OD1 B:Asp164 2.66 Mn CG B:Asp164 2.64 Mn NE2 B:His200 4.84 Mn CE1 B:His200 4.13 Mn NE2 B:His222 2.52 Mn ND1 B:His222 4.62 Mn CD2 B:His222 3.26 Mn CE1 B:His222 3.62 Mn CG B:His222 4.48 Mn MN B:Mn402 3.53 Mn O2 B:Mlt501 4.50 Mn C1 B:Mlt501 3.87 Mn O1 B:Mlt501 3.83 Mn O3 B:Mlt501 3.13 Mn C2 B:Mlt501 3.83 Mn O B:Hoh356 4.27 Mn O B:Hoh451 3.71 Mn O B:Hoh623 1.61 interactive model: