Magnesium in the structure of Scallop Myosin S1-Adp-P-Pdm in the Actin-Detached Conformation (pdb 1l2o)

The binding sites of Magnesium atom in the structure of Scallop Myosin S1-Adp-P-Pdm in the Actin-Detached Conformation (pdb code 1l2o). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1l2o structure was solved by M.HIMMEL, S.GOURINATH, L.RESHETNIKOVA, Y.SHEN, G.SZENT-GYORGYI, C.COHEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 54.2-2.8 Space group P1 a (A) 51.800 b (A) 57.000 c (A) 150.500 alpha (°) 95.60 beta (°) 96.30 gamma (°) 101.50 Rfactor (%) 28 Rfree (%) 32.7 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1l2o Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1l2o. 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: A: Lys182, A: Thr183, A: Asn237, A: Asn239, A: Ser240, A: Ser241, A: Asp460, A: Adp999, A: Hoh1016, A: Hoh1017, A: Hoh1019, A: Hoh1022, A: Hoh1023, conact list: Atom Atom Distance (A) Mg NZ A:Lys182 4.70 Mg N A:Thr183 3.95 Mg CB A:Thr183 2.65 Mg CG2 A:Thr183 3.57 Mg OG1 A:Thr183 2.02 Mg C A:Thr183 4.86 Mg CA A:Thr183 3.88 Mg ND2 A:Asn237 4.82 Mg O A:Asn239 4.37 Mg C A:Ser240 4.38 Mg CA A:Ser240 4.72 Mg O A:Ser241 4.72 Mg N A:Ser241 3.32 Mg CB A:Ser241 2.83 Mg OG A:Ser241 2.41 Mg C A:Ser241 4.73 Mg CA A:Ser241 3.68 Mg OD2 A:Asp460 4.40 Mg OD1 A:Asp460 4.89 Mg O3B A:Adp999 2.98 Mg PA A:Adp999 4.24 Mg O2A A:Adp999 3.72 Mg O1B A:Adp999 4.20 Mg PB A:Adp999 2.90 Mg O2B A:Adp999 1.91 Mg O3A A:Adp999 3.81 Mg O1A A:Adp999 4.71 Mg O A:Hoh1016 2.08 Mg O A:Hoh1017 2.09 Mg O A:Hoh1019 4.44 Mg O A:Hoh1022 3.96 Mg O A:Hoh1023 4.04 interactive model: Magnesium binding site 2 out of 2 in 1l2o Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1l2o. 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: B: Asp28, B: Val29, B: Asp30, B: Arg31, B: Asp32, B: Gly33, B: Phe34, B: Ser36, B: Asp39, conact list: Atom Atom Distance (A) Mg O B:Asp28 4.43 Mg CB B:Asp28 4.27 Mg OD2 B:Asp28 3.43 Mg C B:Asp28 4.29 Mg OD1 B:Asp28 2.34 Mg CG B:Asp28 3.09 Mg CA B:Asp28 4.34 Mg N B:Val29 4.74 Mg C B:Val29 4.69 Mg O B:Asp30 4.12 Mg N B:Asp30 3.92 Mg CB B:Asp30 3.73 Mg OD2 B:Asp30 2.93 Mg C B:Asp30 3.37 Mg OD1 B:Asp30 2.50 Mg CG B:Asp30 2.73 Mg CA B:Asp30 3.84 Mg O B:Arg31 4.26 Mg N B:Arg31 2.79 Mg C B:Arg31 3.10 Mg CB B:Arg31 4.75 Mg CA B:Arg31 3.26 Mg O B:Asp32 4.26 Mg N B:Asp32 2.07 Mg CB B:Asp32 2.82 Mg OD2 B:Asp32 3.90 Mg C B:Asp32 3.61 Mg OD1 B:Asp32 1.90 Mg CG B:Asp32 2.67 Mg CA B:Asp32 2.85 Mg N B:Gly33 4.13 Mg O B:Phe34 3.13 Mg N B:Phe34 4.46 Mg C B:Phe34 4.28 Mg CA B:Phe34 5.00 Mg OG B:Ser36 4.58 Mg CB B:Asp39 4.84 Mg OD2 B:Asp39 2.49 Mg OD1 B:Asp39 3.67 Mg CG B:Asp39 3.44 interactive model: