Magnesium in the structure of The Walker-Type Atpase PABY2304 of Pyrococcus Abyssi (pdb 2qen)

The binding sites of Magnesium atom in the structure of The Walker-Type Atpase PABY2304 of Pyrococcus Abyssi (pdb code 2qen). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2qen structure was solved by M.UHRING, G.BEY, O.LECOMPTE, D.MORAS, O.POCH, J.CAVARELLI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 28.3-2.2 Space group C121 a (A) 80.614 b (A) 49.195 c (A) 108.863 alpha (°) 90.00 beta (°) 98.10 gamma (°) 90.00 Rfactor (%) 19.7 Rfree (%) 24.8 Magnesium Binding Sites: Magnesium binding site 1 out of 1 in 2qen Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2qen. 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: Ser45, A: Asp135, A: Glu136, A: Adp999, A: Hoh1004, A: Hoh1007, A: Hoh1008, A: Hoh1010, A: Hoh1037, A: Hoh1065, A: Hoh1080, conact list: Atom Atom Distance (A) Mg N A:Ser45 3.93 Mg CB A:Ser45 3.31 Mg OG A:Ser45 2.31 Mg CA A:Ser45 4.13 Mg OD2 A:Asp135 3.91 Mg OD1 A:Asp135 3.93 Mg CG A:Asp135 4.20 Mg OE2 A:Glu136 3.73 Mg CD A:Glu136 4.63 Mg CG A:Glu136 4.62 Mg O3B A:Adp999 3.46 Mg PA A:Adp999 4.68 Mg O2A A:Adp999 4.37 Mg O1B A:Adp999 4.44 Mg PB A:Adp999 3.33 Mg O2B A:Adp999 2.16 Mg O3A A:Adp999 4.33 Mg O1A A:Adp999 4.92 Mg O A:Hoh1004 2.22 Mg O A:Hoh1007 2.15 Mg O A:Hoh1008 2.12 Mg O A:Hoh1010 2.11 Mg O A:Hoh1037 4.13 Mg O A:Hoh1065 4.26 Mg O A:Hoh1080 4.21 interactive model: