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 |
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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:
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