Magnesium in the structure of Structure of The Carbamate Kinase-Like Carbamoyl Phosphate Synthetase From the Hyperthermophilic Archaeon Pyrococcus Furiosus Bound to Adp (pdb 1e19)

The binding sites of Magnesium atom in the structure of Structure of The Carbamate Kinase-Like Carbamoyl Phosphate Synthetase From the Hyperthermophilic Archaeon Pyrococcus Furiosus Bound to Adp (pdb code 1e19). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1e19 structure was solved by S.RAMON-MAIQUES, A.MARINA, M.URIARTE, I.FITA, V.RUBIO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-1.5 Space group P212121 a (A) 55.400 b (A) 91.700 c (A) 133.800 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 21.8 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1e19 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1e19. 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: Gly272, A: Ser273, A: Lys277, A: Adp315, A: Hoh2030, A: Hoh2161, A: Hoh2278, A: Hoh2279, A: Hoh2342, A: Hoh2344, A: Hoh2382, A: Hoh2389, A: Hoh2390, A: Hoh2391, conact list: Atom Atom Distance (A) Mg O A:Gly272 4.53 Mg O A:Ser273 4.73 Mg CA A:Ser273 4.70 Mg CE A:Lys277 4.65 Mg NZ A:Lys277 4.15 Mg O3B A:Adp315 2.45 Mg PA A:Adp315 3.52 Mg O2A A:Adp315 2.30 Mg O1B A:Adp315 3.88 Mg PB A:Adp315 3.49 Mg O5' A:Adp315 4.41 Mg O2B A:Adp315 4.85 Mg O3A A:Adp315 3.75 Mg O1A A:Adp315 4.59 Mg O A:Hoh2030 4.25 Mg O A:Hoh2161 4.19 Mg O A:Hoh2278 3.82 Mg O A:Hoh2279 3.86 Mg O A:Hoh2342 2.13 Mg O A:Hoh2344 2.37 Mg O A:Hoh2382 3.56 Mg O A:Hoh2389 2.38 Mg O A:Hoh2390 4.89 Mg O A:Hoh2391 2.47 interactive model: Magnesium binding site 2 out of 2 in 1e19 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1e19. 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: Lys215, B: Gly272, B: Ser273, B: Lys277, B: Adp315, B: Hoh2236, B: Hoh2238, B: Hoh2286, B: Hoh2288, B: Hoh2317, B: Hoh2320, B: Hoh2321, B: Hoh2323, conact list: Atom Atom Distance (A) Mg NZ B:Lys215 4.62 Mg O B:Gly272 4.36 Mg O B:Ser273 4.81 Mg CA B:Ser273 4.75 Mg CE B:Lys277 4.73 Mg NZ B:Lys277 4.07 Mg O3B B:Adp315 2.48 Mg PA B:Adp315 3.44 Mg O2A B:Adp315 4.50 Mg O1B B:Adp315 3.80 Mg PB B:Adp315 3.52 Mg O5' B:Adp315 4.34 Mg O2B B:Adp315 4.90 Mg O3A B:Adp315 3.67 Mg O1A B:Adp315 2.20 Mg O B:Hoh2236 3.93 Mg O B:Hoh2238 3.85 Mg O B:Hoh2286 2.46 Mg O B:Hoh2288 2.50 Mg O B:Hoh2317 4.87 Mg O B:Hoh2320 2.51 Mg O B:Hoh2321 3.78 Mg O B:Hoh2323 2.42 interactive model: