Magnesium in the structure of Photosynthetic Reaction Center Mutant With Trp M115 Replaced With Phe (Chain M, WM115F) Phe M197 Replaced With Arg (Chain M, FM197R) (pdb 1e6d)

The binding sites of Magnesium atom in the structure of Photosynthetic Reaction Center Mutant With Trp M115 Replaced With Phe (Chain M, WM115F) Phe M197 Replaced With Arg (Chain M, FM197R) (pdb code 1e6d). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1e6d structure was solved by J.P.RIDGE, P.K.FYFE, K.E.MCAULEY, M.E.VAN BREDERODE, B.ROBERT, R.VAN GRONDELLE, N.W.ISAACS, R.J.COGDELL, M.R.JONES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.4-2.3 Space group P3121 a (A) 141.200 b (A) 141.200 c (A) 187.300 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.4 Rfree (%) 20 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 1e6d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1e6d. 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: Bcl1301, M: Bph1401, M: Spn1600, conact list: Atom Atom Distance (A) Mg CE2 L:Phe181 4.92 Mg NE2 M:His182 2.38 Mg ND1 M:His182 4.51 Mg CD2 M:His182 3.13 Mg CE1 M:His182 3.49 Mg CG M:His182 4.38 Mg C2D M:Bcl1301 4.29 Mg NA M:Bcl1301 2.16 Mg CHA M:Bcl1301 3.47 Mg C2A M:Bcl1301 4.50 Mg C4B M:Bcl1301 3.11 Mg C4A M:Bcl1301 3.15 Mg C1D M:Bcl1301 3.09 Mg C3A M:Bcl1301 4.47 Mg C1C M:Bcl1301 3.10 Mg C2C M:Bcl1301 4.36 Mg CBD M:Bcl1301 4.94 Mg NB M:Bcl1301 2.06 Mg C3B M:Bcl1301 4.32 Mg MG M:Bcl1301 0.00 Mg C4D M:Bcl1301 2.96 Mg NC M:Bcl1301 2.10 Mg CBA M:Bcl1301 4.94 Mg CHB M:Bcl1301 3.46 Mg CHC M:Bcl1301 3.46 Mg C3D M:Bcl1301 4.20 Mg C4C M:Bcl1301 3.09 Mg C2B M:Bcl1301 4.29 Mg CHD M:Bcl1301 3.50 Mg ND M:Bcl1301 2.02 Mg C1B M:Bcl1301 3.06 Mg C3C M:Bcl1301 4.36 Mg C1A M:Bcl1301 3.17 Mg OBB M:Bph1401 4.86 Mg CM5 M:Spn1600 4.93 interactive model: Magnesium binding site 2 out of 4 in 1e6d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1e6d. 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: Bcl1302, M: Bcl1303, conact list: Atom Atom Distance (A) Mg CD2 L:Phe167 4.68 Mg NE2 L:His173 2.33 Mg ND1 L:His173 4.42 Mg CD2 L:His173 3.35 Mg CE1 L:His173 3.28 Mg CG L:His173 4.48 Mg C2D L:Bcl1302 4.32 Mg NA L:Bcl1302 2.20 Mg CHA L:Bcl1302 3.52 Mg C2A L:Bcl1302 4.50 Mg C4B L:Bcl1302 3.13 Mg C4A L:Bcl1302 3.16 Mg C1D L:Bcl1302 3.11 Mg C3A L:Bcl1302 4.46 Mg C1C L:Bcl1302 3.09 Mg C2C L:Bcl1302 4.38 Mg CBD L:Bcl1302 4.99 Mg NB L:Bcl1302 2.08 Mg C3B L:Bcl1302 4.34 Mg MG L:Bcl1302 0.00 Mg C4D L:Bcl1302 2.99 Mg NC L:Bcl1302 2.09 Mg CHB L:Bcl1302 3.49 Mg CHC L:Bcl1302 3.47 Mg C3D L:Bcl1302 4.25 Mg C4C L:Bcl1302 3.11 Mg C2B L:Bcl1302 4.33 Mg CHD L:Bcl1302 3.49 Mg ND L:Bcl1302 2.01 Mg C1B L:Bcl1302 3.10 Mg C3C L:Bcl1302 4.39 Mg C1A L:Bcl1302 3.19 Mg CBB M:Bcl1303 3.46 Mg CAB M:Bcl1303 4.10 Mg OBB M:Bcl1303 4.80 Mg C3B M:Bcl1303 4.71 interactive model: Magnesium binding site 3 out of 4 in 1e6d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 1e6d. 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: Bcl1302, M: Bcl1303, conact list: Atom Atom Distance (A) Mg NE2 M:His202 2.31 Mg ND1 M:His202 4.38 Mg CD2 M:His202 3.27 Mg CE1 M:His202 3.24 Mg CG M:His202 4.43 Mg CBB L:Bcl1302 3.76 Mg CAB L:Bcl1302 3.80 Mg OBB L:Bcl1302 4.00 Mg C3B L:Bcl1302 4.56 Mg C2D M:Bcl1303 4.33 Mg NA M:Bcl1303 2.19 Mg CHA M:Bcl1303 3.48 Mg C2A M:Bcl1303 4.49 Mg C4B M:Bcl1303 3.09 Mg C4A M:Bcl1303 3.17 Mg C1D M:Bcl1303 3.14 Mg C3A M:Bcl1303 4.49 Mg C1C M:Bcl1303 3.10 Mg C2C M:Bcl1303 4.39 Mg CBD M:Bcl1303 4.96 Mg NB M:Bcl1303 2.07 Mg C3B M:Bcl1303 4.31 Mg MG M:Bcl1303 0.00 Mg C4D M:Bcl1303 2.97 Mg NC M:Bcl1303 2.11 Mg CHB M:Bcl1303 3.48 Mg CHC M:Bcl1303 3.48 Mg C3D M:Bcl1303 4.21 Mg C4C M:Bcl1303 3.10 Mg C2B M:Bcl1303 4.30 Mg CHD M:Bcl1303 3.51 Mg ND M:Bcl1303 2.02 Mg C1B M:Bcl1303 3.07 Mg C3C M:Bcl1303 4.42 Mg C1A M:Bcl1303 3.18 interactive model: Magnesium binding site 4 out of 4 in 1e6d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 1e6d. 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: Bcl1304, L: Bph1402, conact list: Atom Atom Distance (A) Mg NE2 L:His153 2.47 Mg ND1 L:His153 4.59 Mg CD2 L:His153 3.20 Mg CE1 L:His153 3.56 Mg CG L:His153 4.44 Mg CD2 L:Leu154 4.95 Mg CE2 M:Tyr210 4.84 Mg CBC L:Bcl1304 4.73 Mg C2D L:Bcl1304 4.29 Mg NA L:Bcl1304 2.15 Mg CHA L:Bcl1304 3.43 Mg C2A L:Bcl1304 4.48 Mg C4B L:Bcl1304 3.06 Mg C4A L:Bcl1304 3.16 Mg C1D L:Bcl1304 3.09 Mg C3A L:Bcl1304 4.46 Mg C1C L:Bcl1304 3.07 Mg C2C L:Bcl1304 4.37 Mg CBD L:Bcl1304 4.93 Mg NB L:Bcl1304 2.04 Mg C3B L:Bcl1304 4.30 Mg MG L:Bcl1304 0.00 Mg C4D L:Bcl1304 2.94 Mg NC L:Bcl1304 2.08 Mg CBA L:Bcl1304 4.90 Mg CHB L:Bcl1304 3.51 Mg CHC L:Bcl1304 3.43 Mg C3D L:Bcl1304 4.18 Mg C4C L:Bcl1304 3.11 Mg C2B L:Bcl1304 4.30 Mg CHD L:Bcl1304 3.52 Mg ND L:Bcl1304 2.01 Mg C1B L:Bcl1304 3.06 Mg C3C L:Bcl1304 4.39 Mg C1A L:Bcl1304 3.17 Mg OBB L:Bph1402 4.62 interactive model: