Rubidium in the structure of Structure of A Cation-Bound Multidrug and Toxin Compound Extrusion (Mate) Transporter (pdb 3mku)

The binding sites of Rubidium atom in the structure of Structure of A Cation-Bound Multidrug and Toxin Compound Extrusion (Mate) Transporter (pdb code 3mku). This binding sites where shown with 5.0 Angstroms radius around Rubidium atom. The 3mku structure was solved by X.HE, P.SZEWCZYK, A.KARYAKIN, M.EVIN, W.-X.HONG, Q.ZHANG, G.CHANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-4.2 Space group P21212 a (A) 159.800 b (A) 241.850 c (A) 46.150 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 30.9 Rfree (%) 34.2 Rubidium Binding Sites: Rubidium binding site 1 out of 2 in 3mku Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Rubidium in the PDB 3mku. 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: A: Phe259, A: Tyr367, A: Phe429, conact list: Atom Atom Distance (A) Rb CE2 A:Phe259 4.24 Rb CD1 A:Phe259 2.85 Rb CD2 A:Phe259 4.55 Rb CZ A:Phe259 3.22 Rb CE1 A:Phe259 2.33 Rb CG A:Phe259 3.98 Rb CE2 A:Tyr367 4.55 Rb CZ A:Tyr367 3.87 Rb CE1 A:Tyr367 4.88 Rb OH A:Tyr367 2.54 Rb CE2 A:Phe429 4.97 Rb CZ A:Phe429 3.85 Rb CE1 A:Phe429 3.88 interactive model: Rubidium binding site 2 out of 2 in 3mku Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Rubidium in the PDB 3mku. 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: B: Phe259, B: Tyr367, B: Phe429, conact list: Atom Atom Distance (A) Rb CB B:Phe259 4.94 Rb CE2 B:Phe259 4.74 Rb CD1 B:Phe259 3.02 Rb CD2 B:Phe259 4.84 Rb CZ B:Phe259 3.84 Rb CE1 B:Phe259 2.85 Rb CG B:Phe259 4.11 Rb CE2 B:Tyr367 4.97 Rb CZ B:Tyr367 4.24 Rb OH B:Tyr367 2.85 Rb CZ B:Phe429 4.07 Rb CE1 B:Phe429 4.22 interactive model: