Magnesium in the structure of X-Ray High Resolution Structure of The Photosynthetic Reaction Center From Rb. Sphaeroides At pH 10 in the Charge-Separated State (pdb 2uxk)

The binding sites of Magnesium atom in the structure of X-Ray High Resolution Structure of The Photosynthetic Reaction Center From Rb. Sphaeroides At pH 10 in the Charge-Separated State (pdb code 2uxk). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2uxk structure was solved by J.KOEPKE, R.DIEHM, G.FRITZSCH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 119.5-2.3 Space group P43212 a (A) 140.020 b (A) 140.020 c (A) 235.875 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 21.9 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 2uxk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2uxk. 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: L: His153, L: Leu154, M: Tyr210, L: Bcl1282, L: Bph1287, conact list: Atom Atom Distance (A) Mg NE2 L:His153 2.02 Mg ND1 L:His153 4.15 Mg CD2 L:His153 2.98 Mg CE1 L:His153 3.06 Mg CG L:His153 4.15 Mg CD1 L:Leu154 4.74 Mg CE2 M:Tyr210 4.62 Mg CBC L:Bcl1282 4.70 Mg C2D L:Bcl1282 4.19 Mg NA L:Bcl1282 2.04 Mg CHA L:Bcl1282 3.42 Mg C2A L:Bcl1282 4.40 Mg C4B L:Bcl1282 3.05 Mg C4A L:Bcl1282 3.02 Mg C1D L:Bcl1282 3.08 Mg C3A L:Bcl1282 4.33 Mg C1C L:Bcl1282 2.99 Mg C2C L:Bcl1282 4.30 Mg CBD L:Bcl1282 4.90 Mg NB L:Bcl1282 2.05 Mg C3B L:Bcl1282 4.25 Mg MG L:Bcl1282 0.00 Mg C4D L:Bcl1282 2.93 Mg NC L:Bcl1282 2.04 Mg CBA L:Bcl1282 4.85 Mg CHB L:Bcl1282 3.40 Mg CHC L:Bcl1282 3.30 Mg C3D L:Bcl1282 4.11 Mg C4C L:Bcl1282 3.00 Mg C2B L:Bcl1282 4.24 Mg CHD L:Bcl1282 3.42 Mg ND L:Bcl1282 2.04 Mg C1B L:Bcl1282 3.08 Mg C3C L:Bcl1282 4.32 Mg C1A L:Bcl1282 3.09 Mg OBB L:Bph1287 4.22 Mg C20 L:Bph1287 4.87 interactive model: Magnesium binding site 2 out of 4 in 2uxk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2uxk. 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: L: Phe167, L: His173, L: Bcl1289, M: Bcl1304, conact list: Atom Atom Distance (A) Mg CD1 L:Phe167 4.72 Mg NE2 L:His173 2.32 Mg ND1 L:His173 4.33 Mg CD2 L:His173 3.44 Mg CE1 L:His173 3.13 Mg CG L:His173 4.51 Mg C2D L:Bcl1289 4.19 Mg NA L:Bcl1289 2.08 Mg CHA L:Bcl1289 3.46 Mg C2A L:Bcl1289 4.45 Mg C4B L:Bcl1289 3.08 Mg C4A L:Bcl1289 3.03 Mg C1D L:Bcl1289 3.08 Mg C3A L:Bcl1289 4.36 Mg C1C L:Bcl1289 3.01 Mg C2C L:Bcl1289 4.34 Mg CBD L:Bcl1289 4.93 Mg NB L:Bcl1289 2.05 Mg C3B L:Bcl1289 4.28 Mg MG L:Bcl1289 0.00 Mg C4D L:Bcl1289 2.93 Mg NC L:Bcl1289 2.06 Mg CHB L:Bcl1289 3.40 Mg CHC L:Bcl1289 3.35 Mg C3D L:Bcl1289 4.11 Mg C4C L:Bcl1289 3.03 Mg C2B L:Bcl1289 4.26 Mg CHD L:Bcl1289 3.38 Mg ND L:Bcl1289 2.04 Mg C1B L:Bcl1289 3.07 Mg C3C L:Bcl1289 4.36 Mg C1A L:Bcl1289 3.14 Mg CBB M:Bcl1304 3.94 Mg CAB M:Bcl1304 3.58 Mg OBB M:Bcl1304 3.25 Mg C3B M:Bcl1304 4.41 interactive model: Magnesium binding site 3 out of 4 in 2uxk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2uxk. 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: L: Phe181, M: His182, M: Bcl1303, M: Bph1311, conact list: Atom Atom Distance (A) Mg CE2 L:Phe181 4.76 Mg NE2 M:His182 2.01 Mg ND1 M:His182 4.15 Mg CD2 M:His182 2.94 Mg CE1 M:His182 3.08 Mg CG M:His182 4.12 Mg C2D M:Bcl1303 4.14 Mg NA M:Bcl1303 2.05 Mg CHA M:Bcl1303 3.40 Mg C2A M:Bcl1303 4.39 Mg C4B M:Bcl1303 3.05 Mg C4A M:Bcl1303 3.03 Mg C1D M:Bcl1303 3.06 Mg C3A M:Bcl1303 4.34 Mg C1C M:Bcl1303 2.98 Mg C2C M:Bcl1303 4.32 Mg CBD M:Bcl1303 4.87 Mg NB M:Bcl1303 2.05 Mg C3B M:Bcl1303 4.26 Mg MG M:Bcl1303 0.00 Mg C4D M:Bcl1303 2.89 Mg NC M:Bcl1303 2.05 Mg CHB M:Bcl1303 3.43 Mg CHC M:Bcl1303 3.33 Mg C3D M:Bcl1303 4.05 Mg C4C M:Bcl1303 3.02 Mg C2B M:Bcl1303 4.28 Mg CHD M:Bcl1303 3.36 Mg ND M:Bcl1303 2.02 Mg C1B M:Bcl1303 3.11 Mg C3C M:Bcl1303 4.34 Mg C1A M:Bcl1303 3.08 Mg OBB M:Bph1311 4.49 interactive model: Magnesium binding site 4 out of 4 in 2uxk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 2uxk. 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: M: His202, L: Bcl1289, M: Bcl1304, conact list: Atom Atom Distance (A) Mg NE2 M:His202 2.01 Mg ND1 M:His202 4.06 Mg CD2 M:His202 3.13 Mg CE1 M:His202 2.88 Mg CG M:His202 4.21 Mg CBB L:Bcl1289 3.49 Mg CAB L:Bcl1289 3.70 Mg OBB L:Bcl1289 3.93 Mg C3B L:Bcl1289 4.43 Mg C2D M:Bcl1304 4.22 Mg NA M:Bcl1304 2.09 Mg CHA M:Bcl1304 3.42 Mg C2A M:Bcl1304 4.45 Mg C4B M:Bcl1304 3.06 Mg C4A M:Bcl1304 3.09 Mg C1D M:Bcl1304 3.10 Mg C3A M:Bcl1304 4.43 Mg C1C M:Bcl1304 3.01 Mg C2C M:Bcl1304 4.33 Mg CBD M:Bcl1304 4.88 Mg NB M:Bcl1304 2.04 Mg C3B M:Bcl1304 4.24 Mg MG M:Bcl1304 0.00 Mg C4D M:Bcl1304 2.92 Mg NC M:Bcl1304 2.06 Mg CHB M:Bcl1304 3.44 Mg CHC M:Bcl1304 3.38 Mg C3D M:Bcl1304 4.11 Mg C4C M:Bcl1304 3.04 Mg C2B M:Bcl1304 4.26 Mg CHD M:Bcl1304 3.44 Mg ND M:Bcl1304 2.04 Mg C1B M:Bcl1304 3.09 Mg C3C M:Bcl1304 4.36 Mg C1A M:Bcl1304 3.12 interactive model: