Magnesium in the structure of Mechanism of Multi-Site Phosphorylation From A Rock-I:Rhoe Complex Structure (pdb 2v55)

The binding sites of Magnesium atom in the structure of Mechanism of Multi-Site Phosphorylation From A Rock-I:Rhoe Complex Structure (pdb code 2v55). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2v55 structure was solved by D.KOMANDER, R.GARG, P.T.C.WAN, A.J.RIDLEY, D.BARFORD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.3-3.7 Space group P6522 a (A) 152.477 b (A) 152.477 c (A) 531.274 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 23.76 Rfree (%) 26.89 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 2v55 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2v55. 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: Lys200, A: Asp202, A: Asn203, A: Asp216, A: Anp1480, conact list: Atom Atom Distance (A) Mg CE A:Lys200 4.10 Mg NZ A:Lys200 4.37 Mg O A:Asp202 4.35 Mg CB A:Asp202 4.30 Mg C A:Asp202 4.61 Mg ND2 A:Asn203 4.45 Mg OD1 A:Asn203 2.85 Mg CG A:Asn203 3.94 Mg CB A:Asp216 4.88 Mg OD2 A:Asp216 4.05 Mg CG A:Asp216 4.81 Mg PG A:Anp1480 3.94 Mg O2G A:Anp1480 4.90 Mg PA A:Anp1480 3.79 Mg O3' A:Anp1480 4.65 Mg C4' A:Anp1480 4.50 Mg O5' A:Anp1480 3.82 Mg O2B A:Anp1480 3.63 Mg O3A A:Anp1480 3.67 Mg N3B A:Anp1480 3.27 Mg C3' A:Anp1480 4.65 Mg O3G A:Anp1480 3.31 Mg PB A:Anp1480 3.73 Mg C5' A:Anp1480 3.30 Mg O1A A:Anp1480 3.28 interactive model: Magnesium binding site 2 out of 4 in 2v55 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2v55. 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: Thr37, B: Tyr52, B: Val53, B: Pro54, B: Thr55, B: Asp77, B: Gtp1201, conact list: Atom Atom Distance (A) Mg N B:Thr37 4.65 Mg CB B:Thr37 3.09 Mg CG2 B:Thr37 3.75 Mg OG1 B:Thr37 2.50 Mg CA B:Thr37 4.46 Mg CD1 B:Tyr52 4.66 Mg CZ B:Tyr52 4.97 Mg CE1 B:Tyr52 4.31 Mg O B:Val53 2.94 Mg N B:Val53 4.96 Mg C B:Val53 4.05 Mg N B:Pro54 4.66 Mg C B:Pro54 4.19 Mg CA B:Pro54 4.28 Mg N B:Thr55 3.18 Mg CB B:Thr55 3.40 Mg CG2 B:Thr55 3.37 Mg OG1 B:Thr55 2.65 Mg C B:Thr55 4.98 Mg CA B:Thr55 3.86 Mg OD2 B:Asp77 4.49 Mg PG B:Gtp1201 3.56 Mg O3B B:Gtp1201 3.88 Mg O2G B:Gtp1201 2.62 Mg PA B:Gtp1201 4.09 Mg O2B B:Gtp1201 2.44 Mg O3A B:Gtp1201 3.57 Mg O3G B:Gtp1201 3.81 Mg O2A B:Gtp1201 4.46 Mg O1B B:Gtp1201 4.73 Mg PB B:Gtp1201 3.37 Mg O1G B:Gtp1201 4.93 Mg O1A B:Gtp1201 3.61 interactive model: Magnesium binding site 3 out of 4 in 2v55 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2v55. 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: Lys200, C: Asp202, C: Asn203, C: Asp216, C: Anp1480, conact list: Atom Atom Distance (A) Mg CE C:Lys200 4.11 Mg NZ C:Lys200 4.41 Mg O C:Asp202 4.35 Mg CB C:Asp202 4.30 Mg C C:Asp202 4.63 Mg ND2 C:Asn203 4.48 Mg OD1 C:Asn203 2.87 Mg CG C:Asn203 3.97 Mg CB C:Asp216 4.89 Mg OD2 C:Asp216 4.03 Mg CG C:Asp216 4.80 Mg PG C:Anp1480 3.92 Mg O2G C:Anp1480 4.89 Mg PA C:Anp1480 3.76 Mg O3' C:Anp1480 4.65 Mg C4' C:Anp1480 4.49 Mg O5' C:Anp1480 3.80 Mg O2B C:Anp1480 3.61 Mg O3A C:Anp1480 3.65 Mg N3B C:Anp1480 3.25 Mg C3' C:Anp1480 4.64 Mg O3G C:Anp1480 3.30 Mg PB C:Anp1480 3.71 Mg C5' C:Anp1480 3.28 Mg O1A C:Anp1480 3.23 interactive model: Magnesium binding site 4 out of 4 in 2v55 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 2v55. 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: Thr37, D: Tyr52, D: Val53, D: Pro54, D: Thr55, D: Asp77, D: Gtp1201, conact list: Atom Atom Distance (A) Mg N D:Thr37 4.68 Mg CB D:Thr37 3.09 Mg CG2 D:Thr37 3.73 Mg OG1 D:Thr37 2.59 Mg CA D:Thr37 4.47 Mg CD1 D:Tyr52 4.75 Mg CE1 D:Tyr52 4.41 Mg O D:Val53 2.92 Mg N D:Val53 4.96 Mg C D:Val53 4.03 Mg N D:Pro54 4.62 Mg C D:Pro54 4.13 Mg CA D:Pro54 4.25 Mg N D:Thr55 3.11 Mg CB D:Thr55 3.31 Mg CG2 D:Thr55 3.26 Mg OG1 D:Thr55 2.58 Mg C D:Thr55 4.94 Mg CA D:Thr55 3.78 Mg OD2 D:Asp77 4.41 Mg PG D:Gtp1201 3.69 Mg O3B D:Gtp1201 4.03 Mg O2G D:Gtp1201 2.74 Mg PA D:Gtp1201 4.19 Mg O2B D:Gtp1201 2.60 Mg O3A D:Gtp1201 3.68 Mg O3G D:Gtp1201 3.92 Mg O2A D:Gtp1201 4.57 Mg O1B D:Gtp1201 4.88 Mg PB D:Gtp1201 3.52 Mg O1A D:Gtp1201 3.67 interactive model: