Manganese in the structure of Crystal Structure Of the N-Terminal Bah Domain of ORC1P (pdb 1m4z)

The binding sites of Manganese atom in the structure of Crystal Structure Of the N-Terminal Bah Domain of ORC1P (pdb code 1m4z). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1m4z structure was solved by Z.ZHANG, M.K.HAYASHI, O.MERKEL, B.STILLMAN, R.-M.XU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.2 Space group P21212 a (A) 128.260 b (A) 61.050 c (A) 67.770 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20 Rfree (%) 22.5 Manganese Binding Sites: Manganese binding site 1 out of 3 in 1m4z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1m4z. 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: Glu61, B: Glu61, A: Hoh548, B: Hoh528, B: Hoh534, B: Hoh535, B: Hoh554, conact list: Atom Atom Distance (A) Mn OE1 A:Glu61 2.67 Mn OE2 A:Glu61 2.26 Mn CD A:Glu61 2.80 Mn CG A:Glu61 4.29 Mn OE1 B:Glu61 2.59 Mn OE2 B:Glu61 2.36 Mn CD B:Glu61 2.81 Mn CG B:Glu61 4.31 Mn O A:Hoh548 4.27 Mn O B:Hoh528 4.24 Mn O B:Hoh534 3.49 Mn O B:Hoh535 3.68 Mn O B:Hoh554 4.95 interactive model: Manganese binding site 2 out of 3 in 1m4z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1m4z. 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: Glu84, A: Glu140, B: Leu91, B: Glu95, B: Glu137, B: Pro179, A: Hoh544, A: Hoh559, B: Hoh504, B: Hoh511, B: Hoh512, B: Hoh520, B: Hoh540, B: Hoh541, B: Hoh542, B: Hoh543, B: Hoh615, conact list: Atom Atom Distance (A) Mn OE1 A:Glu84 3.22 Mn OE2 A:Glu84 2.28 Mn CD A:Glu84 3.08 Mn CG A:Glu84 4.49 Mn OE1 A:Glu140 4.87 Mn OE2 A:Glu140 4.49 Mn CD2 B:Leu91 4.74 Mn OE2 B:Glu95 4.10 Mn OE1 B:Glu137 4.03 Mn O B:Pro179 4.63 Mn O A:Hoh544 2.16 Mn O A:Hoh559 3.99 Mn O B:Hoh504 4.47 Mn O B:Hoh511 4.28 Mn O B:Hoh512 4.05 Mn O B:Hoh520 4.19 Mn O B:Hoh540 2.09 Mn O B:Hoh541 2.13 Mn O B:Hoh542 2.25 Mn O B:Hoh543 2.22 Mn O B:Hoh615 4.13 interactive model: Manganese binding site 3 out of 3 in 1m4z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 1m4z. 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: Leu91, A: Glu95, A: Glu137, A: Pro179, B: Glu84, B: Glu140, A: Hoh509, A: Hoh510, A: Hoh515, A: Hoh545, A: Hoh546, A: Hoh547, A: Hoh622, B: Hoh507, B: Hoh544, B: Hoh545, B: Hoh574, B: Hoh578, conact list: Atom Atom Distance (A) Mn CD2 A:Leu91 4.69 Mn OE2 A:Glu95 4.15 Mn OE1 A:Glu137 3.96 Mn O A:Pro179 4.71 Mn OE1 B:Glu84 3.34 Mn OE2 B:Glu84 2.11 Mn CD B:Glu84 3.05 Mn CG B:Glu84 4.41 Mn OE2 B:Glu140 4.47 Mn O A:Hoh509 4.45 Mn O A:Hoh510 4.11 Mn O A:Hoh515 4.01 Mn O A:Hoh545 2.17 Mn O A:Hoh546 2.21 Mn O A:Hoh547 2.21 Mn O A:Hoh622 4.93 Mn O B:Hoh507 4.23 Mn O B:Hoh544 2.23 Mn O B:Hoh545 2.20 Mn O B:Hoh574 4.05 Mn O B:Hoh578 4.08 interactive model: