Iridium in the structure of Structure of the S-Adenosylmethionine Riboswitch Mrna Regulatory Element (pdb 2gis)

The binding sites of Iridium atom in the structure of Structure of the S-Adenosylmethionine Riboswitch Mrna Regulatory Element (pdb code 2gis). This binding sites where shown with 5.0 Angstroms radius around Iridium atom. The 2gis structure was solved by R.K.MONTANGE, R.T.BATEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.3-2.9 Space group P43212 a (A) 62.901 b (A) 62.901 c (A) 158.967 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 26.6 Rfree (%) 28.9 Iridium Binding Sites: Iridium binding site 1 out of 4 in 2gis Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iridium in the PDB 2gis. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iridium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: G32, A: A33, A: Iri201, A: Hoh448, conact list: Atom Atom Distance (A) Ir OP2 A:G32 4.23 Ir OP1 A:A33 4.64 Ir OP2 A:A33 4.41 Ir N1 A:Iri201 2.26 Ir N6 A:Iri201 2.24 Ir N3 A:Iri201 2.25 Ir N2 A:Iri201 2.22 Ir IR A:Iri201 0.00 Ir N5 A:Iri201 2.26 Ir N4 A:Iri201 2.27 Ir O A:Hoh448 4.89 interactive model: Iridium binding site 2 out of 4 in 2gis Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iridium in the PDB 2gis. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iridium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: G15, A: G16, A: U17, A: G18, A: A36, A: Iri202, conact list: Atom Atom Distance (A) Ir N7 A:G15 4.98 Ir O6 A:G15 4.98 Ir N7 A:G16 4.51 Ir O6 A:G16 4.66 Ir O4 A:U17 4.16 Ir O6 A:G18 4.91 Ir OP1 A:A36 4.85 Ir N1 A:Iri202 2.25 Ir N6 A:Iri202 2.24 Ir N3 A:Iri202 2.27 Ir N2 A:Iri202 2.23 Ir IR A:Iri202 0.00 Ir N5 A:Iri202 2.26 Ir N4 A:Iri202 2.26 interactive model: Iridium binding site 3 out of 4 in 2gis Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iridium in the PDB 2gis. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iridium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: G23, A: C25, A: U26, A: G27, A: G28, A: Iri203, conact list: Atom Atom Distance (A) Ir C6 A:G23 4.87 Ir O6 A:G23 4.49 Ir OP2 A:C25 3.98 Ir C5 A:U26 4.89 Ir OP2 A:U26 4.05 Ir C6 A:G27 4.89 Ir C5 A:G27 4.94 Ir N7 A:G27 4.21 Ir O6 A:G27 4.12 Ir N7 A:G28 4.51 Ir O6 A:G28 4.37 Ir N1 A:Iri203 2.26 Ir N6 A:Iri203 2.24 Ir N3 A:Iri203 2.27 Ir N2 A:Iri203 2.23 Ir IR A:Iri203 0.00 Ir N5 A:Iri203 2.25 Ir N4 A:Iri203 2.27 interactive model: Iridium binding site 4 out of 4 in 2gis Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iridium in the PDB 2gis. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iridium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: U4, A: U5, A: U88, A: G89, A: Iri204, A: Hoh475, conact list: Atom Atom Distance (A) Ir O4 A:U4 4.06 Ir O4 A:U5 4.21 Ir O4 A:U88 4.17 Ir O6 A:G89 4.89 Ir N1 A:Iri204 2.25 Ir N6 A:Iri204 2.24 Ir N3 A:Iri204 2.26 Ir N2 A:Iri204 2.23 Ir IR A:Iri204 0.00 Ir N5 A:Iri204 2.24 Ir N4 A:Iri204 2.24 Ir O A:Hoh475 3.35 interactive model: