Magnesium in the structure of The Structure Of F1-Atpase Inhibited By I1-60HIS, A Monomeric Form of the Inhibitor Protein, IF1. (pdb 2v7q)

The binding sites of Magnesium atom in the structure of The Structure Of F1-Atpase Inhibited By I1-60HIS, A Monomeric Form of the Inhibitor Protein, IF1. (pdb code 2v7q). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2v7q structure was solved by J.R.GLEDHILL, M.G.MONTGOMERY, A.G.W.LESLIE, J.E.WALKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 37.2-2.1 Space group P212121 a (A) 262.534 b (A) 103.271 c (A) 135.559 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 24.5 Magnesium Binding Sites: Magnesium binding site 1 out of 5 in 2v7q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2v7q. 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: Thr176, A: Asp269, A: Atp1511, A: Hoh2143, A: Hoh2169, A: Hoh2170, A: Hoh2174, A: Hoh2283, A: Hoh2284, A: Hoh2285, A: Hoh2286, conact list: Atom Atom Distance (A) Mg N A:Thr176 4.03 Mg CB A:Thr176 3.24 Mg CG2 A:Thr176 4.32 Mg OG1 A:Thr176 2.16 Mg CA A:Thr176 4.20 Mg OD2 A:Asp269 3.99 Mg OD1 A:Asp269 4.07 Mg CG A:Asp269 4.47 Mg PG A:Atp1511 3.42 Mg O3B A:Atp1511 3.69 Mg O2G A:Atp1511 2.16 Mg PA A:Atp1511 4.67 Mg O2B A:Atp1511 2.14 Mg O3A A:Atp1511 4.44 Mg O3G A:Atp1511 4.60 Mg O2A A:Atp1511 4.86 Mg O1B A:Atp1511 4.39 Mg PB A:Atp1511 3.36 Mg O1G A:Atp1511 4.19 Mg O1A A:Atp1511 4.32 Mg O A:Hoh2143 4.17 Mg O A:Hoh2169 4.19 Mg O A:Hoh2170 4.35 Mg O A:Hoh2174 4.71 Mg O A:Hoh2283 4.73 Mg O A:Hoh2284 2.08 Mg O A:Hoh2285 2.09 Mg O A:Hoh2286 2.11 interactive model: Magnesium binding site 2 out of 5 in 2v7q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2v7q. 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: Thr176, B: Asp269, B: Atp1511, B: Hoh2155, B: Hoh2189, B: Hoh2191, B: Hoh2240, B: Hoh2287, B: Hoh2288, B: Hoh2291, B: Hoh2292, B: Hoh2293, B: Hoh2294, conact list: Atom Atom Distance (A) Mg N B:Thr176 3.96 Mg CB B:Thr176 3.09 Mg CG2 B:Thr176 4.14 Mg OG1 B:Thr176 2.05 Mg CA B:Thr176 4.09 Mg OD2 B:Asp269 4.21 Mg OD1 B:Asp269 4.06 Mg CG B:Asp269 4.56 Mg PG B:Atp1511 3.28 Mg O3B B:Atp1511 3.44 Mg O2G B:Atp1511 2.16 Mg PA B:Atp1511 4.63 Mg O2B B:Atp1511 2.17 Mg O3A B:Atp1511 4.38 Mg O3G B:Atp1511 4.48 Mg O2A B:Atp1511 4.91 Mg O1B B:Atp1511 4.37 Mg PB B:Atp1511 3.30 Mg O1G B:Atp1511 4.02 Mg O1A B:Atp1511 4.14 Mg O B:Hoh2155 4.26 Mg O B:Hoh2189 4.38 Mg O B:Hoh2191 4.21 Mg O B:Hoh2240 4.99 Mg O B:Hoh2287 4.06 Mg O B:Hoh2288 4.65 Mg O B:Hoh2291 4.88 Mg O B:Hoh2292 2.01 Mg O B:Hoh2293 2.16 Mg O B:Hoh2294 2.03 interactive model: Magnesium binding site 3 out of 5 in 2v7q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2v7q. 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: C: Thr176, C: Asp269, C: Atp1511, C: Hoh2148, C: Hoh2178, C: Hoh2284, C: Hoh2287, C: Hoh2292, C: Hoh2293, C: Hoh2294, C: Hoh2295, C: Hoh2296, conact list: Atom Atom Distance (A) Mg N C:Thr176 3.96 Mg CB C:Thr176 3.14 Mg CG2 C:Thr176 4.16 Mg OG1 C:Thr176 2.01 Mg CA C:Thr176 4.11 Mg OD2 C:Asp269 4.11 Mg OD1 C:Asp269 4.12 Mg CG C:Asp269 4.54 Mg PG C:Atp1511 3.32 Mg O3B C:Atp1511 3.68 Mg O2G C:Atp1511 2.17 Mg PA C:Atp1511 4.62 Mg O2B C:Atp1511 2.17 Mg O3A C:Atp1511 4.42 Mg O3G C:Atp1511 4.60 Mg O2A C:Atp1511 4.88 Mg O1B C:Atp1511 4.52 Mg PB C:Atp1511 3.41 Mg O1G C:Atp1511 3.88 Mg O1A C:Atp1511 4.23 Mg O C:Hoh2148 4.14 Mg O C:Hoh2178 4.21 Mg O C:Hoh2284 4.82 Mg O C:Hoh2287 4.44 Mg O C:Hoh2292 4.29 Mg O C:Hoh2293 4.57 Mg O C:Hoh2294 2.16 Mg O C:Hoh2295 2.12 Mg O C:Hoh2296 2.12 interactive model: Magnesium binding site 4 out of 5 in 2v7q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 2v7q. 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: D: Lys162, D: Thr163, D: Glu188, D: Arg189, D: Glu192, D: Asp256, D: Adp1478, D: Hoh2144, D: Hoh2155, D: Hoh2156, D: Hoh2363, D: Hoh2364, D: Hoh2365, D: Hoh2366, D: Hoh2367, conact list: Atom Atom Distance (A) Mg CB D:Lys162 4.92 Mg CE D:Lys162 4.83 Mg N D:Thr163 4.07 Mg CB D:Thr163 3.20 Mg CG2 D:Thr163 4.18 Mg OG1 D:Thr163 2.09 Mg CA D:Thr163 4.20 Mg OE1 D:Glu188 4.07 Mg CD D:Glu188 4.68 Mg NH1 D:Arg189 4.13 Mg OE1 D:Glu192 4.39 Mg OE2 D:Glu192 4.17 Mg CD D:Glu192 4.67 Mg OD2 D:Asp256 4.08 Mg OD1 D:Asp256 4.35 Mg CG D:Asp256 4.66 Mg O3B D:Adp1478 4.37 Mg PA D:Adp1478 4.50 Mg O2A D:Adp1478 4.62 Mg O1B D:Adp1478 3.55 Mg PB D:Adp1478 3.27 Mg O2B D:Adp1478 2.05 Mg O3A D:Adp1478 4.26 Mg O1A D:Adp1478 4.21 Mg O D:Hoh2144 4.80 Mg O D:Hoh2155 4.55 Mg O D:Hoh2156 4.07 Mg O D:Hoh2363 4.72 Mg O D:Hoh2364 2.12 Mg O D:Hoh2365 2.13 Mg O D:Hoh2366 2.06 Mg O D:Hoh2367 2.10 interactive model: Magnesium binding site 5 out of 5 in 2v7q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Magnesium in the PDB 2v7q. 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: Arg373, F: Lys162, F: Thr163, F: Glu188, F: Arg189, F: Glu192, F: Asp256, F: Adp1475, F: Hoh2147, F: Hoh2148, F: Hoh2312, F: Hoh2313, F: Hoh2314, F: Hoh2315, F: Hoh2316, conact list: Atom Atom Distance (A) Mg NH1 B:Arg373 4.41 Mg CB F:Lys162 4.95 Mg CE F:Lys162 4.93 Mg N F:Thr163 4.14 Mg CB F:Thr163 3.27 Mg CG2 F:Thr163 4.28 Mg OG1 F:Thr163 2.13 Mg CA F:Thr163 4.27 Mg OE1 F:Glu188 4.12 Mg CD F:Glu188 4.71 Mg NH1 F:Arg189 3.96 Mg OE1 F:Glu192 4.50 Mg OE2 F:Glu192 4.04 Mg CD F:Glu192 4.70 Mg OD2 F:Asp256 4.04 Mg OD1 F:Asp256 4.34 Mg CG F:Asp256 4.64 Mg O3B F:Adp1475 4.40 Mg PA F:Adp1475 4.49 Mg O2A F:Adp1475 4.63 Mg O1B F:Adp1475 3.67 Mg PB F:Adp1475 3.31 Mg O2B F:Adp1475 1.99 Mg O3A F:Adp1475 4.23 Mg O1A F:Adp1475 4.17 Mg O F:Hoh2147 4.36 Mg O F:Hoh2148 4.28 Mg O F:Hoh2312 4.71 Mg O F:Hoh2313 2.17 Mg O F:Hoh2314 2.16 Mg O F:Hoh2315 2.14 Mg O F:Hoh2316 2.11 interactive model: