Magnesium in the structure of The Crystal Structure Of the Core Domain of Rhoe/RND3 - A Constitutively Activated Small G Protein (pdb 1gwn)

The binding sites of Magnesium atom in the structure of The Crystal Structure Of the Core Domain of Rhoe/RND3 - A Constitutively Activated Small G Protein (pdb code 1gwn). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1gwn structure was solved by H.GARAVINI, K.RIENTO, J.P.PHELAN, M.S.B.MCALISTER, A.J.RIDLEY, N.H.KEEP, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 18.8-2.1 Space group P43212 a (A) 59.454 b (A) 59.454 c (A) 233.024 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 21.2 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1gwn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1gwn. 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: Lys36, A: Thr37, A: Val53, A: Pro54, A: Thr55, A: Asp77, A: Thr78, A: Gtp1201, A: Hoh2011, A: Hoh2020, A: Hoh2084, conact list: Atom Atom Distance (A) Mg CB A:Lys36 4.78 Mg CE A:Lys36 4.90 Mg C A:Lys36 4.92 Mg N A:Thr37 3.81 Mg CB A:Thr37 3.06 Mg CG2 A:Thr37 4.16 Mg OG1 A:Thr37 2.12 Mg CA A:Thr37 3.98 Mg O A:Val53 4.46 Mg C A:Pro54 4.86 Mg N A:Thr55 3.86 Mg CB A:Thr55 3.07 Mg CG2 A:Thr55 4.12 Mg OG1 A:Thr55 2.31 Mg CA A:Thr55 4.09 Mg OD2 A:Asp77 3.91 Mg OD1 A:Asp77 4.19 Mg CG A:Asp77 4.45 Mg O A:Thr78 4.63 Mg PG A:Gtp1201 3.26 Mg O3B A:Gtp1201 3.29 Mg O2G A:Gtp1201 2.16 Mg PA A:Gtp1201 4.49 Mg O2B A:Gtp1201 2.02 Mg O3A A:Gtp1201 4.11 Mg O3G A:Gtp1201 3.99 Mg O2A A:Gtp1201 4.10 Mg O1B A:Gtp1201 4.26 Mg PB A:Gtp1201 3.12 Mg O1G A:Gtp1201 4.44 Mg O1A A:Gtp1201 4.67 Mg O A:Hoh2011 4.48 Mg O A:Hoh2020 2.15 Mg O A:Hoh2084 2.14 interactive model: Magnesium binding site 2 out of 2 in 1gwn Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1gwn. 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: Lys36, C: Thr37, C: Val53, C: Pro54, C: Thr55, C: Asp77, C: Thr78, C: Gtp1201, C: Hoh2017, C: Hoh2029, C: Hoh2105, conact list: Atom Atom Distance (A) Mg CB C:Lys36 4.70 Mg CE C:Lys36 4.95 Mg C C:Lys36 4.94 Mg N C:Thr37 3.86 Mg CB C:Thr37 3.05 Mg CG2 C:Thr37 4.05 Mg OG1 C:Thr37 2.10 Mg CA C:Thr37 4.04 Mg O C:Val53 4.33 Mg C C:Pro54 4.88 Mg N C:Thr55 3.87 Mg CB C:Thr55 3.10 Mg CG2 C:Thr55 4.04 Mg OG1 C:Thr55 2.08 Mg CA C:Thr55 4.10 Mg OD2 C:Asp77 3.91 Mg OD1 C:Asp77 4.27 Mg CG C:Asp77 4.52 Mg O C:Thr78 4.61 Mg PG C:Gtp1201 3.21 Mg O3B C:Gtp1201 3.32 Mg O2G C:Gtp1201 2.00 Mg PA C:Gtp1201 4.45 Mg O2B C:Gtp1201 1.93 Mg O3A C:Gtp1201 4.14 Mg O3G C:Gtp1201 3.98 Mg O2A C:Gtp1201 4.00 Mg O1B C:Gtp1201 4.21 Mg PB C:Gtp1201 3.14 Mg O1G C:Gtp1201 4.42 Mg O1A C:Gtp1201 4.78 Mg O C:Hoh2017 4.21 Mg O C:Hoh2029 2.14 Mg O C:Hoh2105 2.17 interactive model: