Magnesium in the structure of Crystal Structure of the Motor Protein Ksp in Complex With Adp and Monastrol (pdb 1q0b)

The binding sites of Magnesium atom in the structure of Crystal Structure of the Motor Protein Ksp in Complex With Adp and Monastrol (pdb code 1q0b). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1q0b structure was solved by Y.YAN, V.SARDANA, B.XU, W.HALCZENKO, C.HOMNICK, C.A.BUSER, G.D.HARTMAN, H.E.HUBER, L.C.KUO, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.9 Space group P212121 a (A) 69.300 b (A) 79.500 c (A) 159.200 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.9 Rfree (%) 24.5 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1q0b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1q0b. 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: Lys111, A: Thr112, A: Ser232, A: Asp265, A: Adp601, A: Hoh606, A: Hoh610, A: Hoh618, A: Hoh666, A: Hoh702, A: Hoh705, A: Hoh713, A: Hoh760, A: Hoh789, conact list: Atom Atom Distance (A) Mg CB A:Lys111 4.88 Mg CE A:Lys111 4.97 Mg NZ A:Lys111 4.97 Mg N A:Thr112 3.92 Mg CB A:Thr112 3.17 Mg CG2 A:Thr112 4.25 Mg OG1 A:Thr112 2.22 Mg CA A:Thr112 4.13 Mg O A:Ser232 4.16 Mg OD2 A:Asp265 4.21 Mg OD1 A:Asp265 4.48 Mg CG A:Asp265 4.79 Mg O3B A:Adp601 2.21 Mg PA A:Adp601 4.60 Mg O2A A:Adp601 3.95 Mg O1B A:Adp601 3.46 Mg PB A:Adp601 3.35 Mg O2B A:Adp601 4.45 Mg O3A A:Adp601 4.34 Mg O1A A:Adp601 4.81 Mg O A:Hoh606 2.21 Mg O A:Hoh610 2.28 Mg O A:Hoh618 4.43 Mg O A:Hoh666 4.35 Mg O A:Hoh702 2.31 Mg O A:Hoh705 4.27 Mg O A:Hoh713 4.35 Mg O A:Hoh760 4.29 Mg O A:Hoh789 2.28 interactive model: Magnesium binding site 2 out of 2 in 1q0b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1q0b. 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: Lys111, B: Thr112, B: Ser232, B: Asp265, B: Adp600, B: Hoh609, B: Hoh615, B: Hoh627, B: Hoh628, B: Hoh674, B: Hoh685, B: Hoh716, B: Hoh724, B: Hoh795, conact list: Atom Atom Distance (A) Mg CB B:Lys111 4.89 Mg CE B:Lys111 5.00 Mg N B:Thr112 3.94 Mg CB B:Thr112 3.15 Mg CG2 B:Thr112 4.22 Mg OG1 B:Thr112 2.19 Mg CA B:Thr112 4.13 Mg O B:Ser232 4.17 Mg OD2 B:Asp265 4.27 Mg OD1 B:Asp265 4.46 Mg CG B:Asp265 4.80 Mg O3B B:Adp600 2.20 Mg PA B:Adp600 4.57 Mg O2A B:Adp600 3.93 Mg O1B B:Adp600 3.44 Mg PB B:Adp600 3.34 Mg O2B B:Adp600 4.46 Mg O3A B:Adp600 4.33 Mg O1A B:Adp600 4.76 Mg O B:Hoh609 2.28 Mg O B:Hoh615 2.27 Mg O B:Hoh627 4.43 Mg O B:Hoh628 2.33 Mg O B:Hoh674 4.35 Mg O B:Hoh685 4.38 Mg O B:Hoh716 4.21 Mg O B:Hoh724 4.10 Mg O B:Hoh795 2.22 interactive model: