Magnesium in the structure of Crystal Structure Of the Complex of Adp and MG2+ With Dephosphorylated E. Coli Succinyl-Coa Synthetase (pdb 1cqi)

The binding sites of Magnesium atom in the structure of Crystal Structure Of the Complex of Adp and MG2+ With Dephosphorylated E. Coli Succinyl-Coa Synthetase (pdb code 1cqi). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1cqi structure was solved by M.A.JOYCE, M.E.FRASER, M.N.G.JAMES, W.A.BRIDGER, W.T.WOLODKO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-3.3 Space group P4322 a (A) 99.860 b (A) 99.860 c (A) 407.150 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.1 Rfree (%) 24.7 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1cqi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1cqi. 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: Asn199, B: Pro200, B: Asp213, B: Adp801, conact list: Atom Atom Distance (A) Mg O B:Asn199 2.41 Mg CB B:Asn199 4.17 Mg ND2 B:Asn199 4.91 Mg C B:Asn199 3.52 Mg OD1 B:Asn199 3.46 Mg CG B:Asn199 3.97 Mg CA B:Asn199 4.46 Mg N B:Pro200 4.29 Mg CD B:Pro200 4.15 Mg CB B:Asp213 4.42 Mg OD2 B:Asp213 2.59 Mg OD1 B:Asp213 4.77 Mg CG B:Asp213 3.78 Mg O3B B:Adp801 2.33 Mg PA B:Adp801 3.83 Mg O2A B:Adp801 2.52 Mg O1B B:Adp801 4.28 Mg PB B:Adp801 3.68 Mg O5' B:Adp801 5.00 Mg O2B B:Adp801 4.77 Mg O3A B:Adp801 4.21 Mg O1A B:Adp801 4.68 interactive model: Magnesium binding site 2 out of 2 in 1cqi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1cqi. 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: E: Asn199, E: Pro200, E: Asp213, E: Adp802, conact list: Atom Atom Distance (A) Mg O E:Asn199 2.37 Mg CB E:Asn199 4.16 Mg ND2 E:Asn199 4.91 Mg C E:Asn199 3.44 Mg OD1 E:Asn199 3.46 Mg CG E:Asn199 3.98 Mg CA E:Asn199 4.42 Mg N E:Pro200 4.19 Mg CD E:Pro200 4.03 Mg CB E:Asp213 4.38 Mg OD2 E:Asp213 2.61 Mg OD1 E:Asp213 4.77 Mg CG E:Asp213 3.78 Mg O3B E:Adp802 2.34 Mg PA E:Adp802 3.80 Mg O2A E:Adp802 2.51 Mg O1B E:Adp802 4.28 Mg PB E:Adp802 3.66 Mg O5' E:Adp802 4.95 Mg O2B E:Adp802 4.77 Mg O3A E:Adp802 4.15 Mg O1A E:Adp802 4.66 interactive model: