Rubidium in the structure of Crystal Structure of Kcsa-Fab-Tba Complex in Rb+ (pdb 2dwe)

The binding sites of Rubidium atom in the structure of Crystal Structure of Kcsa-Fab-Tba Complex in Rb+ (pdb code 2dwe). This binding sites where shown with 5.0 Angstroms radius around Rubidium atom. The 2dwe structure was solved by S.YOHANNAN, Y.ZHOU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 26.8-2.5 Space group I4 a (A) 154.560 b (A) 154.560 c (A) 75.813 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 23 Rfree (%) 26.6 Rubidium Binding Sites: Rubidium binding site 1 out of 3 in 2dwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Rubidium in the PDB 2dwe. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Rubidium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Gly77, C: Tyr78, C: Gly79, conact list: Atom Atom Distance (A) Rb O C:Gly77 3.27 Rb C C:Gly77 4.35 Rb O C:Tyr78 2.91 Rb N C:Tyr78 4.76 Rb C C:Tyr78 3.51 Rb CA C:Tyr78 4.14 Rb N C:Gly79 4.27 Rb CA C:Gly79 4.51 interactive model: Rubidium binding site 2 out of 3 in 2dwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Rubidium in the PDB 2dwe. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Rubidium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Thr74, C: Thr75, C: Val76, C: Rb3003, C: Tba4001, conact list: Atom Atom Distance (A) Rb O C:Thr74 4.97 Rb O C:Thr75 3.23 Rb CB C:Thr75 3.45 Rb CG2 C:Thr75 4.65 Rb OG1 C:Thr75 2.94 Rb C C:Thr75 3.90 Rb CA C:Thr75 4.36 Rb N C:Val76 4.76 Rb RB C:Rb3003 3.95 Rb C41 C:Tba4001 3.78 Rb N1 C:Tba4001 4.42 Rb C32 C:Tba4001 4.75 Rb C21 C:Tba4001 3.75 interactive model: Rubidium binding site 3 out of 3 in 2dwe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Rubidium in the PDB 2dwe. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Rubidium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Thr75, C: Val76, C: Gly77, C: Rb3002, conact list: Atom Atom Distance (A) Rb O C:Thr75 3.11 Rb C C:Thr75 4.24 Rb O C:Val76 3.07 Rb N C:Val76 4.74 Rb C C:Val76 3.69 Rb CA C:Val76 4.23 Rb O C:Gly77 4.54 Rb N C:Gly77 4.50 Rb C C:Gly77 4.90 Rb CA C:Gly77 4.82 Rb RB C:Rb3002 3.95 interactive model: