Rubidium in the structure of Serine Protease (pdb 1hxe)

The binding sites of Rubidium atom in the structure of Serine Protease (pdb code 1hxe). This binding sites where shown with 5.0 Angstroms radius around Rubidium atom. The 1hxe structure was solved by A.TULINSKY, E.ZHANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 7.0-2.1 Space group C121 a (A) 71.500 b (A) 72.300 c (A) 73.300 alpha (°) 90.00 beta (°) 101.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Rubidium Binding Sites: Rubidium binding site 1 out of 2 in 1hxe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Rubidium in the PDB 1hxe. 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: H: Gly184, H: Tyr184A, H: Asp221, H: Arg221A, H: Asp222, H: Gly223, H: Lys224, H: Tyr225, H: Hoh469, H: Hoh519, H: Hoh520, H: Hoh537, H: Hoh538, H: Hoh539, conact list: Atom Atom Distance (A) Rb CA H:Gly184 4.94 Rb O H:Tyr184A 3.56 Rb N H:Tyr184A 4.53 Rb C H:Tyr184A 4.74 Rb C H:Asp221 4.78 Rb OD1 H:Asp221 4.86 Rb CA H:Asp221 4.76 Rb O H:Arg221A 2.93 Rb N H:Arg221A 4.60 Rb C H:Arg221A 4.15 Rb N H:Asp222 4.95 Rb OD1 H:Asp222 4.45 Rb CA H:Asp222 4.72 Rb N H:Gly223 4.70 Rb O H:Lys224 2.70 Rb N H:Lys224 4.46 Rb C H:Lys224 3.94 Rb CA H:Lys224 4.89 Rb N H:Tyr225 4.78 Rb CD1 H:Tyr225 4.67 Rb CE1 H:Tyr225 4.79 Rb CA H:Tyr225 4.84 Rb O H:Hoh469 3.53 Rb O H:Hoh519 3.14 Rb O H:Hoh520 3.08 Rb O H:Hoh537 3.04 Rb O H:Hoh538 3.26 Rb O H:Hoh539 4.50 interactive model: Rubidium binding site 2 out of 2 in 1hxe Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Rubidium in the PDB 1hxe. 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: H: Lys169, H: Asp170, H: Thr172, H: Arg173, H: Hoh540, H: Hoh541, H: Hoh542, conact list: Atom Atom Distance (A) Rb O H:Lys169 2.92 Rb C H:Lys169 3.94 Rb CA H:Lys169 4.90 Rb N H:Asp170 4.60 Rb OD1 H:Asp170 4.80 Rb CA H:Asp170 4.49 Rb O H:Thr172 2.86 Rb N H:Thr172 4.98 Rb C H:Thr172 4.07 Rb N H:Arg173 4.74 Rb CA H:Arg173 4.60 Rb O H:Hoh540 1.65 Rb O H:Hoh541 3.36 Rb O H:Hoh542 3.00 interactive model: